Diff of the two buildlogs: -- --- b1/build.log 2025-08-04 01:25:49.031565801 +0000 +++ b2/build.log 2025-08-04 02:17:52.107683954 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun Aug 3 12:53:33 -12 2025 -I: pbuilder-time-stamp: 1754268813 +I: Current time: Sun Sep 6 21:48:50 +14 2026 +I: pbuilder-time-stamp: 1788680930 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -25,52 +25,84 @@ dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/819830/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/2816954/tmp/hooks/D01_modify_environment starting +debug: Running on ionos15-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Sep 6 07:49 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/2816954/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/2816954/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=40 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='6cec069d562240049af339a4d8d4e346' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='819830' - PS1='# ' - PS2='> ' + INVOCATION_ID=a884156e85614b5392bb9e421409b386 + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=2816954 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.Uni5hwX1/pbuilderrc_pJgE --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.Uni5hwX1/b1 --logfile b1/build.log meep_1.29.0-2.dsc' - SUDO_GID='110' - SUDO_UID='105' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://46.16.76.132:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.Uni5hwX1/pbuilderrc_eElQ --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.Uni5hwX1/b2 --logfile b2/build.log meep_1.29.0-2.dsc' + SUDO_GID=111 + SUDO_UID=106 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://213.165.73.152:3128 I: uname -a - Linux ionos1-amd64 6.1.0-37-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.140-1 (2025-05-22) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.12.33+deb12-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.33-1~bpo12+1 (2025-07-09) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 May 12 19:25 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/819830/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 May 12 2025 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/2816954/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -433,7 +465,7 @@ Get: 279 http://deb.debian.org/debian trixie/main amd64 python3-matplotlib amd64 3.10.1+dfsg1-4 [23.8 MB] Get: 280 http://deb.debian.org/debian trixie/main amd64 quilt all 0.68-1 [437 kB] Get: 281 http://deb.debian.org/debian trixie/main amd64 swig amd64 4.3.0-1 [1503 kB] -Fetched 233 MB in 4s (65.2 MB/s) +Fetched 233 MB in 4s (54.8 MB/s) Preconfiguring packages ... Selecting previously unselected package libexpat1:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19851 files and directories currently installed.) @@ -1341,8 +1373,8 @@ Setting up tzdata (2025b-4) ... Current default time zone: 'Etc/UTC' -Local time is now: Mon Aug 4 00:54:39 UTC 2025. -Universal Time is now: Mon Aug 4 00:54:39 UTC 2025. +Local time is now: Sun Sep 6 07:49:45 UTC 2026. +Universal Time is now: Sun Sep 6 07:49:45 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... @@ -1597,7 +1629,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.29.0-2_source.changes +I: user script /srv/workspace/pbuilder/2816954/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/2816954/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../meep_1.29.0-2_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.29.0-2 dpkg-buildpackage: info: source distribution unstable @@ -1867,7 +1903,7 @@ config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_auto_build - make -j40 + make -j42 make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' @@ -1877,7 +1913,7 @@ (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/'| sed 's/step_bfast/step_bfast_stride1/') > step_generic_stride1.cpp make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o sphere-quad.o sphere-quad.cpp -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h @@ -1885,97 +1921,99 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making all in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' -/bin/bash ../../libtool --tag=CC --mode=compile x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c -o mt19937ar.lo mt19937ar.c +/bin/sh ../../libtool --tag=CC --mode=compile x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c -o mt19937ar.lo mt19937ar.c libtool: compile: x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o libtool: compile: x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1 -/bin/bash ../../libtool --tag=CC --mode=link x86_64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../../libtool --tag=CC --mode=link x86_64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-ar cr .libs/libsupport.a .libs/mt19937ar.o libtool: link: x86_64-linux-gnu-ranlib .libs/libsupport.a libtool: link: ( cd ".libs" && rm -f "libsupport.la" && ln -s "../libsupport.la" "libsupport.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o array_slice.lo array_slice.cpp -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o anisotropic_averaging.lo anisotropic_averaging.cpp -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o bands.lo bands.cpp -/bin/bash ../libtool --tag=CXX --mode=compile 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-fcf-protection -Wall -W -c h5fields.cpp -fPIC -DPIC -o .libs/h5fields.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c loop_in_chunks.cpp -fPIC -DPIC -o .libs/loop_in_chunks.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o .libs/anisotropic_averaging.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5file.cpp -fPIC -DPIC -o .libs/h5file.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bicgstab.cpp -fPIC -DPIC -o .libs/bicgstab.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o .libs/energy_and_flux.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields_dump.cpp -fPIC -DPIC -o .libs/fields_dump.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o .libs/multilevel-atom.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c initialize.cpp -fPIC -DPIC -o .libs/initialize.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fix_boundary_sources.cpp -fPIC -DPIC -o .libs/fix_boundary_sources.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate.cpp -fPIC -DPIC -o .libs/integrate.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bicgstab.cpp -fPIC -DPIC -o .libs/bicgstab.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o .libs/output_directory.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5file.cpp -fPIC -DPIC -o .libs/h5file.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields.cpp -fPIC -DPIC -o .libs/fields.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o .libs/dft.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c material_data.cpp -fPIC -DPIC -o .libs/material_data.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields_dump.cpp -fPIC -DPIC -o .libs/fields_dump.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c loop_in_chunks.cpp -fPIC -DPIC -o .libs/loop_in_chunks.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5fields.cpp -fPIC -DPIC -o .libs/h5fields.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o .libs/monitor.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c array_slice.cpp -fPIC -DPIC -o .libs/array_slice.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate.cpp -fPIC -DPIC -o .libs/integrate.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o .libs/mympi.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o .libs/step_db.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o .libs/near2far.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o .libs/output_directory.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o .libs/multilevel-atom.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o .libs/near2far.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate2.cpp -fPIC -DPIC -o .libs/integrate2.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c initialize.cpp -fPIC -DPIC -o .libs/initialize.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o .libs/mympi.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o .libs/random.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o .libs/random.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o -step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 144 | CHUNK_OPENMP +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o dft.cpp:274: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 274 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) { susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] @@ -1984,8 +2022,184 @@ 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { +step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 144 | CHUNK_OPENMP meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll +step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:92: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:98: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 98 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:98: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:105: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 105 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:105: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:110: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 110 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } +step_generic_stride1.cpp:110: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:119: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 119 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:119: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:129: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 129 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:129: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:139: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 139 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:139: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:147: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 147 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:147: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:163: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 163 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:163: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:173: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 173 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:173: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:183: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 183 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:183: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:190: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 190 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:190: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:203: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 203 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:203: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:217: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 217 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:217: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:230: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 230 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:230: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:240: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 240 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:240: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:268: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 268 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:268: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:280: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 280 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:280: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:291: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 291 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:291: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:299: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 299 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:299: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:310: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 310 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:310: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:318: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 318 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:318: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:328: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 328 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } +step_generic_stride1.cpp:328: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:331: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 331 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } +step_generic_stride1.cpp:331: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:353: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 353 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:353: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:360: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 360 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:360: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:369: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 369 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:369: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:376: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 376 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:376: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:388: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 388 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:388: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:398: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 398 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:398: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:410: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 410 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:410: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:420: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 420 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:420: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:438: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 438 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:438: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:448: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 448 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:448: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 460 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:460: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:468: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 468 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:468: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:482: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 482 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:482: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:511: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 511 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:511: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:522: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 522 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:522: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:593: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 593 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:593: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:608: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 608 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:608: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:620: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 620 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:620: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:632: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 632 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:632: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:648: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 648 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:648: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:661: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 661 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:661: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:674: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 674 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:674: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:685: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 685 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:685: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:695: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 695 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:695: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:707: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 707 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:707: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:718: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 718 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:718: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:727: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 727 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:727: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:736: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 736 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:736: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:749: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 749 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:749: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:759: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 759 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:759: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:769: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 769 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:769: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:777: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 777 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { +step_generic_stride1.cpp:777: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] +step_generic_stride1.cpp:784: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 784 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } +step_generic_stride1.cpp:784: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 90 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:96: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] @@ -2113,13 +2327,6 @@ sources.cpp:168:1: warning: when initialized here [-Wreorder] 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, | ^~~~~~~ -step_db.cpp: In member function 'bool meep::fields_chunk::step_db(meep::field_type)': -step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable] - 189 | const int dk = gv.iyee_shift(cc).in_direction(dsig); - | ^~ -step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable] - 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu); - | ^~~ In file included from fields.cpp:25: meep.hpp: In constructor 'meep::fields::fields(meep::structure*, double, double, bool, int, int, std::vector)': meep.hpp:2255:16: warning: 'meep::fields::working_on' will be initialized after [-Wreorder] @@ -2141,6 +2348,14 @@ fields.cpp:242:1: warning: when initialized here [-Wreorder] 242 | fields_chunk::fields_chunk(structure_chunk *the_s, const char *od, double m, double beta, | ^~~~~~~~~~~~ +meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': +meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] + 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { + | ^~~~~~~~~~~~ +meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': +meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] + 2685 | std::complex row_1[3], row_2[3], dA_du[3]; + | ^~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 115 | snprintf(outdirname, buflen, "%s-out", basename); @@ -2185,44 +2400,6 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 -monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': -monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] - 327 | component cc = comp_list[com_it]; - | ^~ -monitor.cpp:274:15: note: 'comp_list' declared here - 274 | component comp_list[3]; - | ^~~~~~~~~ -step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': -step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable] - 434 | realnum dt2 = dt * 0.5; - | ^~~ -meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': -meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] - 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { - | ^~~~~~~~~~~~ -step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter] - 337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, - | ~~~~~~~~^~~~ -step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter] - 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, - | ~~~~~~~~~~^~~ -step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter] - 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, - | ~~~~~~~~~~^~~ -step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter] - 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, - | ~~~~~~~~~~^~~~ -step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter] - 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, - | ~~~~~~~~~~^~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bicgstab.cpp -fPIC -DPIC -o bicgstab.o >/dev/null 2>&1 -meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': -meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] - 2685 | std::complex row_1[3], row_2[3], dA_du[3]; - | ^~~~~ meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector, std::vector, double*, double, meep::grid_volume&, geom_epsilon*, double)': meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2838 | for (int i = 0; i < ng * nf; i++) { @@ -2262,7 +2439,6 @@ meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; | ~~~~~~~~~~^~~~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1 meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ @@ -2272,16 +2448,85 @@ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o dft_ldos.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 +meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': +meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] + 2617 | } + | ^ +boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const': +boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=] + 120 | switch (d) { + | ^~~~~~ +boundaries.cpp:128:5: note: here + 128 | case D3: + | ^~~~ +step_db.cpp: In member function 'bool meep::fields_chunk::step_db(meep::field_type)': +step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable] + 189 | const int dk = gv.iyee_shift(cc).in_direction(dsig); + | ^~ +step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable] + 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu); + | ^~~ +step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': +step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable] + 436 | realnum dt2 = dt * 0.5; + | ^~~ +step_generic_stride1.cpp:339:78: warning: unused parameter 'dtdx' [-Wunused-parameter] + 339 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, + | ~~~~~~~~^~~~ +step_generic_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter] + 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, + | ~~~~~~~~~~^~~ +step_generic_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter] + 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, + | ~~~~~~~~~~^~~ +step_generic_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter] + 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, + | ~~~~~~~~~~^~~~ +step_generic_stride1.cpp:341:43: warning: unused parameter 'kapu' [-Wunused-parameter] + 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, + | ~~~~~~~~~~^~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5file.cpp -fPIC -DPIC -o h5file.o >/dev/null 2>&1 +step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': +step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable] + 434 | realnum dt2 = dt * 0.5; + | ^~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o energy_and_flux.o >/dev/null 2>&1 +step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter] + 337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, + | ~~~~~~~~^~~~ +step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter] + 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, + | ~~~~~~~~~~^~~ +step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter] + 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, + | ~~~~~~~~~~^~~ +step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter] + 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, + | ~~~~~~~~~~^~~~ +step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter] + 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, + | ~~~~~~~~~~^~~~ +monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': +monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] + 327 | component cc = comp_list[com_it]; + | ^~ +monitor.cpp:274:15: note: 'comp_list' declared here + 274 | component comp_list[3]; + | ^~~~~~~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o dft_ldos.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c initialize.cpp -fPIC -DPIC -o initialize.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)': mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] 408 | int in[5], out[5]; | ^~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c casimir.cpp -fPIC -DPIC -o casimir.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); @@ -2300,35 +2545,22 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5file.cpp -fPIC -DPIC -o h5file.o >/dev/null 2>&1 -meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': -meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] - 2617 | } - | ^ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c initialize.cpp -fPIC -DPIC -o initialize.o >/dev/null 2>&1 -boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const': -boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=] - 120 | switch (d) { - | ^~~~~~ -boundaries.cpp:128:5: note: here - 128 | case D3: - | ^~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5fields.cpp -fPIC -DPIC -o h5fields.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c casimir.cpp -fPIC -DPIC -o casimir.o >/dev/null 2>&1 mympi.cpp: In function 'void meep::abort(const char*, ...)': mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] 248 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bicgstab.cpp -fPIC -DPIC -o bicgstab.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields_dump.cpp -fPIC -DPIC -o fields_dump.o >/dev/null 2>&1 mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, __va_list_tag*)': mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] 692 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate.cpp -fPIC -DPIC -o integrate.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5fields.cpp -fPIC -DPIC -o h5fields.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields_dump.cpp -fPIC -DPIC -o fields_dump.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); @@ -2346,218 +2578,20 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fix_boundary_sources.cpp -fPIC -DPIC -o fix_boundary_sources.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c loop_in_chunks.cpp -fPIC -DPIC -o loop_in_chunks.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c cw_fields.cpp -fPIC -DPIC -o cw_fields.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c array_slice.cpp -fPIC -DPIC -o array_slice.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c array_slice.cpp -fPIC -DPIC -o array_slice.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields.cpp -fPIC -DPIC -o fields.o >/dev/null 2>&1 -step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:92: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:98: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 98 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:98: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:105: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 105 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:105: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:110: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 110 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } -step_generic_stride1.cpp:110: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:119: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 119 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:119: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:129: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 129 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:129: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:139: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 139 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:139: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:147: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 147 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:147: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:163: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 163 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:163: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:173: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 173 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:173: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:183: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 183 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:183: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:190: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 190 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:190: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:203: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 203 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:203: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:217: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 217 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:217: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:230: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 230 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:230: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:240: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 240 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:240: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:268: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 268 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:268: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:280: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 280 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:280: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:291: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 291 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:291: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:299: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 299 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:299: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:310: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 310 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:310: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:318: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 318 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:318: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:328: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 328 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } -step_generic_stride1.cpp:328: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:331: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 331 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } -step_generic_stride1.cpp:331: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:353: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 353 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:353: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:360: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 360 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:360: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:369: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 369 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:369: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:376: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 376 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:376: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:388: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 388 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:388: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:398: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 398 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:398: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:410: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 410 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:410: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:420: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 420 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:420: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:438: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 438 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:438: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:448: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 448 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:448: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 460 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:460: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:468: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 468 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:468: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:482: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 482 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:482: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:511: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 511 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:511: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:522: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 522 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:522: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:593: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 593 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:593: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:608: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 608 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:608: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:620: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 620 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:620: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:632: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 632 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:632: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:648: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 648 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:648: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:661: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 661 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:661: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:674: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 674 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:674: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:685: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 685 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:685: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:695: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 695 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:695: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:707: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 707 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:707: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:718: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 718 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:718: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:727: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 727 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:727: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:736: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 736 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:736: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:749: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 749 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:749: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:759: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 759 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:759: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:769: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 769 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:769: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:777: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 777 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { -step_generic_stride1.cpp:777: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -step_generic_stride1.cpp:784: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 784 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } -step_generic_stride1.cpp:784: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 -step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': -step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable] - 436 | realnum dt2 = dt * 0.5; - | ^~~ -step_generic_stride1.cpp:339:78: warning: unused parameter 'dtdx' [-Wunused-parameter] - 339 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, - | ~~~~~~~~^~~~ -step_generic_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter] - 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, - | ~~~~~~~~~~^~~ -step_generic_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter] - 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, - | ~~~~~~~~~~^~~ -step_generic_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter] - 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, - | ~~~~~~~~~~^~~~ -step_generic_stride1.cpp:341:43: warning: unused parameter 'kapu' [-Wunused-parameter] - 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, - | ~~~~~~~~~~^~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c cw_fields.cpp -fPIC -DPIC -o cw_fields.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o anisotropic_averaging.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, double, meep::grid_volume&, double)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, @@ -2567,13 +2601,15 @@ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/x86_64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/x86_64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.33 -o .libs/libmeep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.33" && ln -s "libmeep.so.33.0.0" "libmeep.so.33") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.33.0.0" "libmeep.so") @@ -2601,11 +2637,11 @@ ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go +swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go -swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i cp -f /usr/share/libctl/base/main.c main.cpp cp -f /usr/share/libctl/utils/geom.c geom.cpp gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl @@ -2692,13 +2728,13 @@ meep_wrap.cxx:36212:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36212 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:46:1: warning: multi-line comment [-Wcomment] 46 | // #define LOOP_XYZ(md) \ @@ -2723,7 +2759,7 @@ 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.33" && ln -s "libpympb.so.33.0.0" "libpympb.so.33") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.33.0.0" "libpympb.so") @@ -2749,8 +2785,8 @@ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o In file included from mpb-python.cxx:3409: @@ -2820,13 +2856,13 @@ meep-python.cxx:126313:53: warning: unused parameter 'self' [-Wunused-parameter] 126313 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 In file included from meep-python.cxx:4104: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.33" && ln -s "_mpb.so.33.0.0" "_mpb.so.33") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.33.0.0" "_mpb.so") @@ -2834,7 +2870,7 @@ libtool: link: x86_64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.33" && ln -s "_meep.so.33.0.0" "_meep.so.33") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.33.0.0" "_meep.so") @@ -2889,94 +2925,94 @@ make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o aniso_disp.o aniso_disp.cpp -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o aniso_disp aniso_disp.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o aniso_disp aniso_disp.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/aniso_disp aniso_disp.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o bench.o bench.cpp -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o bench bench.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 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-lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make check-TESTS @@ -3124,1392 +3160,1392 @@ make[2]: *** [Makefile:523: check-recursive] Error 1 make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' . -./.travis.yml -./codecov.yml -./add_type_hints.xonsh -./Makefile.am +./src +./src/meepgeom.cpp +./src/libmeep.la +./src/output_directory.lo +./src/casimir.o +./src/multilevel-atom.cpp +./src/h5fields.o +./src/structure.lo +./src/material_data.hpp +./src/vec.lo +./src/GDSIIgeom.o +./src/random.o +./src/step.o 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+./libpympb/libpympb_la-pympb.o +./libpympb/libpympb.la +./libpympb/Makefile.in +./libpympb/pympb.hpp +./.sourcery.yaml ./python -./python/Makefile.am +./python/_mpb_la-mpb-python.o +./python/mpb_data.py +./python/requirements.txt +./python/source.py ./python/meep-python.cxx ./python/materials.py -./python/mpb.py -./python/verbosity_mgr.py -./python/solver.py -./python/_mpb.la -./python/_meep.la -./python/Makefile.in -./python/meep -./python/meep/materials.py -./python/meep/verbosity_mgr.py -./python/meep/__pycache__ -./python/meep/__pycache__/verbosity_mgr.cpython-313.pyc -./python/meep/__pycache__/timing_measurements.cpython-313.pyc -./python/meep/__pycache__/source.cpython-313.pyc -./python/meep/__pycache__/visualization.cpython-313.pyc -./python/meep/__pycache__/simulation.cpython-313.pyc -./python/meep/__pycache__/materials.cpython-313.pyc -./python/meep/__pycache__/binary_partition_utils.cpython-313.pyc -./python/meep/__pycache__/geom.cpython-313.pyc 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-./python/meep/adjoint/filters.py -./python/meep/adjoint/objective.py -./python/meep/adjoint/__init__.py -./python/meep/adjoint/optimization_problem.py -./python/meep/adjoint/basis.py -./python/meep/adjoint/wrapper.py -./python/meep/adjoint/filter_source.py -./python/meep/adjoint/utils.py -./python/meep/adjoint/unfilter_design.py -./python/meep/visualization.py -./python/meep/binary_partition_utils.py -./python/meep/timing_measurements.py -./python/meep/source.py -./python/Makefile -./python/typemap_utils.cpp -./python/numpy.i -./python/requirements.txt -./python/simulation.py -./python/geom.py -./python/_mpb_la-mpb-python.lo ./python/meep-python.hpp -./python/mpb-python.cxx +./python/mpb.py +./python/meep.i ./python/chunk_balancer.py -./python/__init__.py -./python/mpb.i -./python/_meep_la-meep-python.lo ./python/tests -./python/tests/test_source.py -./python/tests/test_fragment_stats.trs -./python/tests/test_refl_angular.log -./python/tests/test_material_dispersion.py -./python/tests/test_eigfreq.trs -./python/tests/test_integrated_source.trs -./python/tests/test_bend_flux.py -./python/tests/test_mode_coeffs.trs -./python/tests/test_wvg_src.log -./python/tests/test_prism.py -./python/tests/test_dump_load.trs -./python/tests/test_holey_wvg_bands.log -./python/tests/test_force.trs +./python/tests/test_binary_grating.trs +./python/tests/test_chunk_layout.py +./python/tests/test_dft_energy.trs +./python/tests/test_multilevel_atom.trs +./python/tests/test_cyl_ellipsoid.trs +./python/tests/test_cavity_farfield.py +./python/tests/test_cavity_farfield.trs +./python/tests/test_gaussianbeam.trs +./python/tests/test_conductivity.trs +./python/tests/test_field_functions.trs +./python/tests/test_materials_library.trs ./python/tests/test_materials_library.py -./python/tests/test_material_grid.trs -./python/tests/test_get_epsilon_grid.log -./python/tests/test_cyl_ellipsoid.py -./python/tests/test_simulation.trs -./python/tests/test_chunks.trs -./python/tests/test_binary_partition_utils.trs -./python/tests/test_n2f_periodic.log -./python/tests/test_kdom.trs -./python/tests/test_material_dispersion.trs -./python/tests/test_force.log +./python/tests/test_wvg_src.trs +./python/tests/test_holey_wvg_cavity.log ./python/tests/test_chunk_balancer.py -./python/tests/test_dump_load.py -./python/tests/__pycache__ -./python/tests/__pycache__/utils.cpython-313.pyc ./python/tests/test_verbosity_mgr.py -./python/tests/test_geom.trs -./python/tests/test_materials_library.trs -./python/tests/test_adjoint_solver.trs -./python/tests/test_get_point.trs -./python/tests/test_chunks.log -./python/tests/test_kdom.log -./python/tests/test_bend_flux.log -./python/tests/test_special_kz.trs -./python/tests/test_force.py +./python/tests/test_adjoint_jax.log +./python/tests/test_pw_source.py +./python/tests/test_physical.log +./python/tests/test_dump_load.trs +./python/tests/test_absorber_1d.py +./python/tests/test_refl_angular.log +./python/tests/test_medium_evaluations.trs +./python/tests/test_chunks.py +./python/tests/test_absorber_1d.log +./python/tests/test_source.trs +./python/tests/test_refl_angular.py ./python/tests/test_dispersive_eigenmode.log -./python/tests/test_pw_source.log -./python/tests/test_ring.trs -./python/tests/test_chunk_layout.py -./python/tests/test_adjoint_cyl.log -./python/tests/test_physical.trs -./python/tests/test_material_grid.py -./python/tests/test_geom.log -./python/tests/test_chunk_balancer.trs -./python/tests/test_mpb.trs -./python/tests/test_dft_energy.py -./python/tests/test_3rd_harm_1d.py -./python/tests/test_simulation.log -./python/tests/test_cavity_farfield.log -./python/tests/test_faraday_rotation.log +./python/tests/test_ring.log +./python/tests/test_gaussianbeam.py +./python/tests/test_absorber_1d.trs ./python/tests/test_timing_measurements.trs -./python/tests/test_mode_decomposition.trs -./python/tests/test_visualization.log -./python/tests/test_3rd_harm_1d.log -./python/tests/test_pw_source.trs -./python/tests/test_adjoint_cyl.py -./python/tests/test_fragment_stats.log -./python/tests/test_array_metadata.trs -./python/tests/test_conductivity.py -./python/tests/test_adjoint_solver.log -./python/tests/test_user_defined_material.log -./python/tests/test_ring_cyl.py -./python/tests/test_dft_fields.trs -./python/tests/test_get_epsilon_grid.trs -./python/tests/test_source.trs ./python/tests/test_adjoint_cyl.trs -./python/tests/test_physical.log -./python/tests/test_n2f_periodic.trs -./python/tests/test_multilevel_atom.py -./python/tests/test_adjoint_utils.log -./python/tests/test_holey_wvg_bands.py -./python/tests/test_holey_wvg_cavity.py -./python/tests/test_field_functions.py -./python/tests/test_get_point.py -./python/tests/test_pml_cyl.py -./python/tests/test_dft_energy.trs -./python/tests/test_material_grid.log -./python/tests/test_oblique_source.trs -./python/tests/test_prism.log -./python/tests/test_field_functions.log -./python/tests/test_dft_energy.log -./python/tests/test_gaussianbeam.trs -./python/tests/test_array_metadata.log -./python/tests/test_mpb.py -./python/tests/test_user_defined_material.trs -./python/tests/test_diffracted_planewave.log -./python/tests/test_ring_cyl.trs -./python/tests/test_user_defined_material.py -./python/tests/test_adjoint_utils.py -./python/tests/test_mode_coeffs.log -./python/tests/test_medium_evaluations.trs -./python/tests/test_adjoint_utils.trs -./python/tests/test_pw_source.py +./python/tests/test_ring_cyl.log +./python/tests/test_divide_mpi_processes.py +./python/tests/test_divide_mpi_processes.trs ./python/tests/test_binary_partition_utils.py -./python/tests/test_chunk_layout.trs -./python/tests/test_conductivity.trs -./python/tests/test_holey_wvg_bands.trs -./python/tests/test_visualization.py -./python/tests/test_adjoint_jax.log -./python/tests/test_array_metadata.py +./python/tests/test_visualization.log +./python/tests/test_adjoint_solver.py +./python/tests/test_dump_load.log +./python/tests/test_adjoint_cyl.py +./python/tests/test_fragment_stats.trs +./python/tests/__pycache__ +./python/tests/__pycache__/utils.cpython-313.pyc ./python/tests/test_prism.trs -./python/tests/test_antenna_radiation.py -./python/tests/test_get_epsilon_grid.py +./python/tests/test_array_metadata.log ./python/tests/test_antenna_radiation.trs -./python/tests/test_adjoint_jax.py -./python/tests/test_oblique_source.py -./python/tests/test_diffracted_planewave.trs -./python/tests/test_geom.py -./python/tests/test_mpb.log -./python/tests/test_verbosity_mgr.log -./python/tests/test_cyl_ellipsoid.log -./python/tests/test_simulation.py -./python/tests/test_eigfreq.py -./python/tests/test_binary_grating.py -./python/tests/test_refl_angular.py -./python/tests/test_holey_wvg_cavity.trs -./python/tests/test_dft_fields.log -./python/tests/test_mode_decomposition.py -./python/tests/test_dispersive_eigenmode.trs -./python/tests/test_ring.log -./python/tests/test_get_point.log -./python/tests/test_absorber_1d.trs -./python/tests/test_divide_mpi_processes.log -./python/tests/test_wvg_src.py -./python/tests/test_cavity_farfield.py -./python/tests/test_wvg_src.trs ./python/tests/test_fragment_stats.py -./python/tests/test_kdom.py -./python/tests/test_special_kz.log -./python/tests/test_faraday_rotation.trs -./python/tests/test_material_dispersion.log -./python/tests/test_materials_library.log -./python/tests/test_chunks.py -./python/tests/test_ldos.trs -./python/tests/test_cavity_arrayslice.trs -./python/tests/test_visualization.trs -./python/tests/test_source.log -./python/tests/test_eigfreq.log -./python/tests/test_adjoint_solver.py -./python/tests/test_absorber_1d.log -./python/tests/test_integrated_source.py -./python/tests/test_multilevel_atom.trs -./python/tests/test_gaussianbeam.log -./python/tests/test_medium_evaluations.log -./python/tests/test_ring_cyl.log -./python/tests/test_pml_cyl.log -./python/tests/test_dft_fields.py -./python/tests/test_antenna_radiation.log +./python/tests/test_3rd_harm_1d.log ./python/tests/data -./python/tests/data/tutorial-b.k16.b08.te.h5 -./python/tests/data/tutorial-d.k16.b08.te.h5 -./python/tests/data/tri-rods-e.k11.b08.z.tm-r-m3-n32.h5 +./python/tests/data/bragg-h.k01.b08.y.tm.h5 +./python/tests/data/tutorial-e.k16.b08.z.tm.h5 +./python/tests/data/diamond-dpwr.k06.b05.h5 ./python/tests/data/tutorial-d.k16.b02.te.h5 -./python/tests/data/bend-flux.gds -./python/tests/data/eps_input_file_test.h5 -./python/tests/data/tutorial-te-eigenvectors-8-1.h5 -./python/tests/data/tutorial-e.k16.b08.te.h5 -./python/tests/data/tri-rods-e.k11.b08.z.tm.h5 -./python/tests/data/amp_func_file.h5 +./python/tests/data/tutorial-d.k16.b08.te.h5 ./python/tests/data/tutorial-te-eigenvectors-3-3.h5 -./python/tests/data/diamond-dpwr.k06.b05.h5 -./python/tests/data/tutorial-e.k16.b08.z.tm.h5 -./python/tests/data/tutorial-flux.v.k11.b08.te.h5 -./python/tests/data/mpa_unfilter_design.npy -./python/tests/data/nonconvex_prism_vertices1.npz -./python/tests/data/tutorial-d.k01.b02.te.h5 -./python/tests/data/nonconvex_prism_vertices3.npz +./python/tests/data/convex_prism_vertices.npz ./python/tests/data/tutorial-mu.h5 -./python/tests/data/tutorial-h.k16.b08.te.h5 -./python/tests/data/bragg-h.k01.b08.y.tm.h5 ./python/tests/data/cavity-farfield.h5 +./python/tests/data/tutorial-tot.rpwr.k16.b08.te.h5 +./python/tests/data/tri-rods-e.k11.b08.z.tm-r-m3-n32.h5 +./python/tests/data/tutorial-C.k16.b08.te.h5 +./python/tests/data/cavity-farfield-4-freqs.h5 +./python/tests/data/strip-flux.v.k01.b04.x.h5 +./python/tests/data/tri-rods-epsilon-r-m3-n32.h5 +./python/tests/data/cavity_arrayslice_2d.npy +./python/tests/data/subpixel_avg-epsilon.h5 ./python/tests/data/line-defect-e.k04.b12.z.tm.h5 +./python/tests/data/cavity_arrayslice_1d.npy +./python/tests/data/tutorial-h.k16.b08.te.h5 ./python/tests/data/nonconvex_prism_vertices2.npz -./python/tests/data/convex_prism_vertices.npz +./python/tests/data/tutorial-d.k01.b02.te.h5 +./python/tests/data/tutorial-b.k16.b08.te.h5 +./python/tests/data/tri-rods-e.k11.b08.z.tm.h5 +./python/tests/data/bend-flux.gds +./python/tests/data/mpa_unfilter_design.npy ./python/tests/data/tutorial-epsilon.h5 -./python/tests/data/strip-flux.v.k01.b04.x.h5 -./python/tests/data/tri-rods-epsilon-r-m3-n32.h5 -./python/tests/data/hole-slab-h.k01.b09.z.zeven.h5 -./python/tests/data/converted-tri-rods-e.k11.b08.tm.h5 ./python/tests/data/converted-diamond-dpwr.k06.b05.h5 -./python/tests/data/tutorial-C.k16.b08.te.h5 -./python/tests/data/spiral.gds -./python/tests/data/subpixel_avg-epsilon.h5 ./python/tests/data/tutorial-te-eigenvectors.h5 -./python/tests/data/cavity_arrayslice_1d.npy -./python/tests/data/cavity_arrayslice_2d.npy -./python/tests/data/cavity-farfield-4-freqs.h5 -./python/tests/data/tutorial-tot.rpwr.k16.b08.te.h5 +./python/tests/data/eps_input_file_test.h5 +./python/tests/data/tutorial-flux.v.k11.b08.te.h5 +./python/tests/data/spiral.gds +./python/tests/data/hole-slab-h.k01.b09.z.zeven.h5 +./python/tests/data/tutorial-te-eigenvectors-8-1.h5 +./python/tests/data/tutorial-e.k16.b08.te.h5 ./python/tests/data/mpa_unfilter_design_target.npy -./python/tests/test_binary_grating.trs -./python/tests/test_ldos.py +./python/tests/data/nonconvex_prism_vertices1.npz +./python/tests/data/nonconvex_prism_vertices3.npz +./python/tests/data/converted-tri-rods-e.k11.b08.tm.h5 +./python/tests/data/amp_func_file.h5 +./python/tests/test_integrated_source.py +./python/tests/test_force.py +./python/tests/test_mode_decomposition.log +./python/tests/test_pw_source.trs +./python/tests/utils.py +./python/tests/test_get_epsilon_grid.py +./python/tests/test_simulation.trs +./python/tests/test_oblique_source.trs +./python/tests/test_fragment_stats.log +./python/tests/test_pml_cyl.trs +./python/tests/test_integrated_source.log +./python/tests/test_eigfreq.trs +./python/tests/test_refl_angular.trs +./python/tests/test_special_kz.py +./python/tests/test_oblique_source.log +./python/tests/test_dispersive_eigenmode.trs +./python/tests/test_binary_partition_utils.trs +./python/tests/test_force.trs +./python/tests/test_user_defined_material.log +./python/tests/test_cavity_arrayslice.trs ./python/tests/test_diffracted_planewave.py -./python/tests/test_absorber_1d.py +./python/tests/test_adjoint_utils.py +./python/tests/test_ldos.trs +./python/tests/test_ldos.log +./python/tests/test_antenna_radiation.py +./python/tests/test_user_defined_material.py +./python/tests/test_get_epsilon_grid.trs +./python/tests/test_adjoint_utils.trs +./python/tests/test_get_epsilon_grid.log +./python/tests/test_3rd_harm_1d.trs +./python/tests/test_get_point.py +./python/tests/test_special_kz.log +./python/tests/test_holey_wvg_bands.log +./python/tests/test_dispersive_eigenmode.py +./python/tests/test_get_point.log +./python/tests/test_holey_wvg_bands.py +./python/tests/test_get_point.trs +./python/tests/test_adjoint_solver.log +./python/tests/test_geom.trs +./python/tests/test_adjoint_solver.trs +./python/tests/test_integrated_source.trs +./python/tests/test_adjoint_jax.trs +./python/tests/test_verbosity_mgr.trs +./python/tests/test_holey_wvg_cavity.py +./python/tests/test_diffracted_planewave.log +./python/tests/test_adjoint_jax.py +./python/tests/test_cavity_farfield.log +./python/tests/test_chunk_balancer.log ./python/tests/test_cavity_arrayslice.log -./python/tests/test_cavity_arrayslice.py -./python/tests/test_ring.py -./python/tests/test_bend_flux.trs -./python/tests/test_binary_partition_utils.log +./python/tests/test_simulation.py ./python/tests/test_medium_evaluations.py -./python/tests/test_oblique_source.log -./python/tests/test_timing_measurements.py -./python/tests/test_ldos.log -./python/tests/test_mode_decomposition.log -./python/tests/utils.py -./python/tests/test_gaussianbeam.py -./python/tests/test_field_functions.trs +./python/tests/test_chunk_balancer.trs +./python/tests/test_adjoint_utils.log +./python/tests/test_special_kz.trs +./python/tests/test_eigfreq.py +./python/tests/test_cyl_ellipsoid.log +./python/tests/test_faraday_rotation.log +./python/tests/test_n2f_periodic.trs +./python/tests/test_prism.py +./python/tests/test_material_grid.log ./python/tests/test_timing_measurements.log -./python/tests/test_dispersive_eigenmode.py -./python/tests/test_3rd_harm_1d.trs -./python/tests/test_holey_wvg_cavity.log -./python/tests/test_special_kz.py -./python/tests/test_divide_mpi_processes.py -./python/tests/test_pml_cyl.trs +./python/tests/test_adjoint_cyl.log +./python/tests/test_bend_flux.trs +./python/tests/test_array_metadata.trs +./python/tests/test_mode_decomposition.py +./python/tests/test_ldos.py +./python/tests/test_ring.trs +./python/tests/test_source.log +./python/tests/test_geom.py +./python/tests/test_visualization.trs 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-./scheme/meep-enums.scm -./scheme/meep-meep.o -./scheme/meep.scm -./scheme/meep_wrap.cxx.orig -./scheme/main.cpp -./scheme/ctl-io.h -./scheme/casimir.scm -./scheme/meep-meep_wrap.o -./scheme/meep_swig_bug_workaround.i -./scheme/meep-geom.o -./scheme/ctl-io.i -./scheme/meep_wrap.patch -./scheme/meep-ctl-const.hpp -./scheme/meep-ctl-io.o -./scheme/ctl-io.cpp -./scheme/materials.scm -./scheme/geom.cpp -./scheme/examples -./scheme/examples/mie-scattering.ctl -./scheme/examples/solve-cw.ctl -./scheme/examples/3rd-harm-1d.ctl -./scheme/examples/holey-wvg-bands.ctl -./scheme/examples/refl-angular-kz2d.ctl -./scheme/examples/holey-wvg-cavity.ctl -./scheme/examples/cavity-farfield.ctl -./scheme/examples/oblique-source.ctl -./scheme/examples/binary_grating_n2f.ctl -./scheme/examples/faraday-rotation.ctl -./scheme/examples/cherenkov-radiation.ctl -./scheme/examples/mode-coeffs.ctl -./scheme/examples/polarization_grating.ctl -./scheme/examples/binary_grating_phasemap.ctl -./scheme/examples/metasurface_lens_farfield.ctl -./scheme/examples/metal-cavity-ldos.ctl -./scheme/examples/material-dispersion.ctl -./scheme/examples/parallel-wvgs-mpb.ctl -./scheme/examples/mode-decomposition.ctl -./scheme/examples/finite_grating.ctl -./scheme/examples/cylinder-cross-section.ctl -./scheme/examples/refl-angular.ctl -./scheme/examples/ring-cyl.ctl -./scheme/examples/pw-source.ctl -./scheme/examples/chirped-pulse.ctl -./scheme/examples/wvg_src.ctl -./scheme/examples/bent-waveguide.ctl -./scheme/examples/zone-plate.ctl -./scheme/examples/stochastic-emitter.ctl -./scheme/examples/straight-waveguide.ctl -./scheme/examples/metasurface_lens_phasemap.ctl -./scheme/examples/ring.ctl -./scheme/examples/multilevel-atom.ctl -./scheme/examples/oblique-planewave.ctl -./scheme/examples/antenna-radiation.ctl -./scheme/examples/refl-quartz.ctl -./scheme/examples/perturbation-theory-2d.ctl -./scheme/examples/perturbation-theory.ctl -./scheme/examples/group-velocity.ctl -./scheme/examples/absorbed-power-density.ctl -./scheme/examples/bend-flux.ctl -./scheme/examples/differential-cross-section.ctl -./scheme/examples/parallel-wvgs-force.ctl -./scheme/examples/gaussian-beam.ctl -./scheme/examples/binary_grating_oblique.ctl -./scheme/examples/binary_grating.ctl -./scheme/meep.cpp -./scheme/meep-ctl.hpp -./scheme/.libs -./scheme/.libs/meep -./scheme/meep-structure.o -./scheme/meep.i -./scheme/meep.scm.in ======================================== meep 1.29.0: python/test-suite.log ======================================== @@ -4522,7 +4558,7 @@ # XPASS: 0 # ERROR: 0 -System information (uname -a): Linux 6.1.0-37-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.140-1 (2025-05-22) x86_64 +System information (uname -a): Linux 6.12.33+deb12-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.33-1~bpo12+1 (2025-07-09) x86_64 Distribution information (/etc/os-release): PRETTY_NAME="Debian GNU/Linux 13 (trixie)" NAME="Debian GNU/Linux" @@ -4538,8 +4574,8 @@ FAIL: tests/test_adjoint_solver =============================== -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-u319cu6b because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-25hkwjoq because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa @@ -4560,14 +4596,14 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.2565 s +Elapsed run time = 0.2527 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-a1qqu4ae because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-nr3o845c because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa @@ -4588,14 +4624,14 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.2176 s +Elapsed run time = 0.2224 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-khf6pjed because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-limwbnz6 because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa @@ -4616,7 +4652,7 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.2171 s +Elapsed run time = 0.2221 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax @@ -4631,14 +4667,14 @@ FAIL: tests/test_binary_partition_utils ======================================= -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-1f4pzip5 because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-uoltf5nf because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' -Elapsed run time = 0.0031 s +Elapsed run time = 0.0032 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating @@ -4653,8 +4689,8 @@ FAIL: tests/test_chunk_balancer =============================== -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-xjo8etqf because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-sr6egoqg because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized @@ -4666,8 +4702,8 @@ FAIL: tests/test_get_epsilon_grid ================================= -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-cbyvwf7o because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-r29vqpij because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa @@ -4677,14 +4713,14 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.2208 s +Elapsed run time = 0.2320 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-t9ybzulk because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-vch1btld because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa @@ -4705,16 +4741,16 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.2263 s +Elapsed run time = 0.2190 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-o5dvz6sn because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-dzk5a65o because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. -/tmp/meepj2xd8H/test_anisotropic_2d_gap-0 +/tmp/meepaT3ehl/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -4757,7 +4793,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0018992424011230469 +elapsed time for initialization: 0.0017616748809814453 solve_kpoint (0,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8 Solving for bands 3 to 8... @@ -4868,7 +4904,7 @@ iteration 52: trace = 0.8320200571439169 (6.4797e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 -elapsed time for k point: 0.1302790641784668 +elapsed time for k point: 0.1744222640991211 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -4963,7 +4999,7 @@ iteration 45: trace = 0.830531883834597 (5.1746e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 -elapsed time for k point: 0.17220163345336914 +elapsed time for k point: 0.1665956974029541 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5056,7 +5092,7 @@ iteration 44: trace = 0.8299239457452545 (6.27534e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 -elapsed time for k point: 0.2405240535736084 +elapsed time for k point: 0.28587985038757324 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5157,7 +5193,7 @@ iteration 48: trace = 0.828280840667424 (4.63508e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 -elapsed time for k point: 0.19162893295288086 +elapsed time for k point: 0.3014397621154785 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5240,7 +5276,7 @@ iteration 39: trace = 0.819574626229673 (5.83982e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 -elapsed time for k point: 0.152116060256958 +elapsed time for k point: 0.5222575664520264 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5317,7 +5353,7 @@ iteration 36: trace = 0.8152593107299856 (8.53034e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 -elapsed time for k point: 0.1698164939880371 +elapsed time for k point: 0.2811400890350342 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5398,7 +5434,7 @@ iteration 38: trace = 0.8101088212743903 (5.41195e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 -elapsed time for k point: 0.15315914154052734 +elapsed time for k point: 0.40111589431762695 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5477,7 +5513,7 @@ iteration 37: trace = 0.8027830712683007 (5.80155e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 -elapsed time for k point: 0.1461789608001709 +elapsed time for k point: 0.3682746887207031 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5558,7 +5594,7 @@ iteration 38: trace = 0.8027156837865845 (5.42584e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 -elapsed time for k point: 0.1440134048461914 +elapsed time for k point: 0.22968196868896484 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5647,7 +5683,7 @@ iteration 42: trace = 0.8111283942460432 (9.43746e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 -elapsed time for k point: 0.18726682662963867 +elapsed time for k point: 0.31459712982177734 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5759,7 +5795,7 @@ iteration 53: trace = 0.8190722270473992 (9.58991e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 -elapsed time for k point: 0.37935543060302734 +elapsed time for k point: 0.40923261642456055 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5853,7 +5889,7 @@ iteration 44: trace = 0.809011111637009 (7.55874e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 -elapsed time for k point: 0.4817662239074707 +elapsed time for k point: 0.38121938705444336 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5926,7 +5962,7 @@ iteration 34: trace = 0.8101014661646309 (5.19136e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 -elapsed time for k point: 0.12677478790283203 +elapsed time for k point: 0.21807050704956055 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -6013,7 +6049,7 @@ iteration 41: trace = 0.8249014819373074 (9.02955e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 -elapsed time for k point: 0.24415802955627441 +elapsed time for k point: 0.3646552562713623 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -6094,7 +6130,7 @@ iteration 38: trace = 0.8293598597555062 (6.99311e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 -elapsed time for k point: 0.6672961711883545 +elapsed time for k point: 0.1634349822998047 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. @@ -6179,7 +6215,7 @@ iteration 40: trace = 0.8320200571443126 (8.05559e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 -..elapsed time for k point: 0.6555936336517334 +..elapsed time for k point: 0.2151350975036621 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024663 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2306191582641471 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.2169677695447459 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855334 at Vector3<0.0, 0.0, 0.0> @@ -6188,15 +6224,15 @@ Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259556 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.3495385376612383 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230435 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011147 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.4773065722591571 at Vector3<0.5, 0.5, 0.0> -total elapsed time for run: 4.245693683624268 +total elapsed time for run: 4.800328016281128 done -/tmp/meepj2xd8H/test_anisotropic_2d_gap-0: 4.25s +/tmp/meepaT3ehl/test_anisotropic_2d_gap-0: 4.80s -/tmp/meepj2xd8H/test_attribute_accessors-0 +/tmp/meepaT3ehl/test_attribute_accessors-0 ======================== -/tmp/meepj2xd8H/test_attribute_accessors-0: 0.00s +/tmp/meepaT3ehl/test_attribute_accessors-0: 0.00s -/tmp/meepj2xd8H/test_bragg-0 +/tmp/meepaT3ehl/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6224,7 +6260,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> -elapsed time for initialization: 0.00023126602172851562 +elapsed time for initialization: 0.00020885467529296875 solve_kpoint (0.5,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 1 to 8... @@ -6236,7 +6272,7 @@ linmin: converged after 8 iterations. iteration 3: trace = 18.80241121676355 (5.29053% change) linmin: converged after 9 iterations. - switching to approximate line minimization (decrease time by 55.3459%) + switching to approximate line minimization (decrease time by 53.0488%) iteration 4: trace = 18.64391851739208 (0.846506% change) iteration 5: trace = 18.63017879178811 (0.0737226% change) iteration 6: trace = 18.62916087316935 (0.00546396% change) @@ -6250,14 +6286,14 @@ iteration 14: trace = 18.62908769486296 (5.15293e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 -elapsed time for k point: 0.002146005630493164 -total elapsed time for run: 0.002423524856567383 +elapsed time for k point: 0.002119302749633789 +total elapsed time for run: 0.0023860931396484375 done Fixing h-field (band 8) phase by 0.909549 + -0.415598i; max ampl. = 1.96664 -.Outputting fields to /tmp/meepj2xd8H/test_bragg-0-h.k01.b08.y.tm.h5... -/tmp/meepj2xd8H/test_bragg-0: 0.01s +.Outputting fields to /tmp/meepaT3ehl/test_bragg-0-h.k01.b08.y.tm.h5... +/tmp/meepaT3ehl/test_bragg-0: 0.05s -/tmp/meepj2xd8H/test_bragg_sine-0 +/tmp/meepaT3ehl/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6293,7 +6329,7 @@ Vector3<0.4, 0.0, 0.0> Vector3<0.45, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> -elapsed time for initialization: 0.003505229949951172 +elapsed time for initialization: 0.00733637809753418 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -6311,253 +6347,240 @@ linmin: converged after 6 iterations. iteration 6: trace = 11.08249596623342 (0.00433692% change) linmin: converged after 8 iterations. - switching to approximate line minimization (decrease time by 50.3876%) iteration 7: trace = 11.08219937792932 (0.00267622% change) - iteration 8: trace = 11.080392850722 (0.0163025% change) - iteration 9: trace = 11.07371100354852 (0.0603215% change) - iteration 10: trace = 11.07251024800463 (0.0108439% change) - switching back to exact line minimization - iteration 11: trace = 11.07220229832265 (0.00278125% change) - linmin: converged after 6 iterations. - iteration 12: trace = 11.0721374909281 (0.000585318% change) - linmin: converged after 5 iterations. - iteration 13: trace = 11.07212372003566 (0.000124374% change) - linmin: converged after 5 iterations. - iteration 14: trace = 11.07210621625139 (0.000158089% change) - large trace change predicted (0.000962796%) - linmin: converged after 9 iterations. - switching to approximate line minimization (decrease time by 54.3307%) - iteration 15: trace = 11.0719993512241 (0.000965178% change) - iteration 16: trace = 11.07178521914648 (0.00193402% change) - iteration 17: trace = 11.07169338324774 (0.000829462% change) - iteration 18: trace = 11.0716791349779 (0.000128691% change) - iteration 19: trace = 11.0716776762409 (1.31754e-05% change) - iteration 20: trace = 11.07167746421355 (1.91504e-06% change) - iteration 21: trace = 11.07167736899564 (8.60013e-07% change) - iteration 22: trace = 11.07167717203594 (1.77895e-06% change) - iteration 23: trace = 11.0716765129284 (5.9531e-06% change) - iteration 24: trace = 11.07167501404105 (1.3538e-05% change) - iteration 25: trace = 11.07167456742123 (4.0339e-06% change) - iteration 26: trace = 11.07167453658426 (2.78521e-07% change) - iteration 27: trace = 11.07167453263466 (3.56731e-08% change) - iteration 28: trace = 11.07167453155581 (9.74424e-09% change) - iteration 29: trace = 11.07167453100292 (4.9937e-09% change) - iteration 30: trace = 11.07167452878505 (2.00319e-08% change) - iteration 31: trace = 11.07167452133311 (6.73063e-08% change) - iteration 32: trace = 11.07167451525601 (5.48887e-08% change) - iteration 33: trace = 11.0716745137535 (1.35708e-08% change) - iteration 34: trace = 11.07167451360699 (1.32327e-09% change) - iteration 35: trace = 11.07167451359442 (1.13561e-10% change) - iteration 36: trace = 11.0716745135925 (1.73277e-11% change) -Finished solving for bands 2 to 8 after 36 iterations. + large trace change predicted (0.0167813%) + linmin: converged after 7 iterations. + iteration 8: trace = 11.08038971307203 (0.0163308% change) + large trace change predicted (0.0812504%) + linmin: converged after 8 iterations. + switching to approximate line minimization (decrease time by 50.9202%) + iteration 9: trace = 11.07305297898712 (0.0662356% change) + iteration 10: trace = 11.07185516989407 (0.0108179% change) + iteration 11: trace = 11.07168738513477 (0.00151543% change) + iteration 12: trace = 11.07167585079513 (0.000104179% change) + iteration 13: trace = 11.07167482915733 (9.22749e-06% change) + iteration 14: trace = 11.07167476731081 (5.58601e-07% change) + iteration 15: trace = 11.07167475680357 (9.4902e-08% change) + iteration 16: trace = 11.07167473320993 (2.13099e-07% change) + iteration 17: trace = 11.0716746380286 (8.59683e-07% change) + iteration 18: trace = 11.07167453893824 (8.9499e-07% change) + iteration 19: trace = 11.07167451569749 (2.09912e-07% change) + iteration 20: trace = 11.07167451357912 (1.91332e-08% change) + iteration 21: trace = 11.07167451350186 (6.97744e-10% change) + iteration 22: trace = 11.07167451349491 (6.28289e-11% change) +Finished solving for bands 2 to 8 after 22 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991 -elapsed time for k point: 0.003913402557373047 +elapsed time for k point: 0.0026841163635253906 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. - iteration 1: trace = 11.04206365238234 (0.320449% change) - linmin: converged after 11 iterations. - switching to approximate line minimization (decrease time by 57.2222%) - iteration 2: trace = 11.02780117294509 (0.129248% change) - iteration 3: trace = 11.02771234002152 (0.000805539% change) + iteration 1: trace = 11.04205918662024 (0.320428% change) + linmin: converged after 9 iterations. + switching to approximate line minimization (decrease time by 53.9877%) + iteration 2: trace = 11.02779668224921 (0.129249% change) + iteration 3: trace = 11.02770788404882 (0.000805225% change) switching back to exact line minimization - large trace change predicted (0.0933308%) + large trace change predicted (0.0933122%) linmin: converged after 10 iterations. - iteration 4: trace = 11.01807523748665 (0.0874281% change) - linmin: converged after 6 iterations. - iteration 5: trace = 11.01665174373604 (0.0129205% change) - linmin: converged after 9 iterations. - iteration 6: trace = 11.01541109373655 (0.0112622% change) - linmin: converged after 8 iterations. - iteration 7: trace = 11.01434645778537 (0.00966544% change) - linmin: converged after 6 iterations. - iteration 8: trace = 11.01353347802306 (0.00738137% change) - linmin: converged after 6 iterations. - iteration 9: trace = 11.01298024357244 (0.00502335% change) + iteration 4: trace = 11.01807058106323 (0.0874299% change) + linmin: converged after 7 iterations. + iteration 5: trace = 11.01664713365717 (0.01292% change) + linmin: converged after 7 iterations. + iteration 6: trace = 11.01540657665126 (0.0112614% change) + linmin: converged after 7 iterations. + iteration 7: trace = 11.01434219317469 (0.00966315% change) linmin: converged after 7 iterations. - iteration 10: trace = 11.01261007215716 (0.00336128% change) + iteration 8: trace = 11.01352945053978 (0.00737922% change) linmin: converged after 6 iterations. - iteration 11: trace = 11.01235230758405 (0.00234066% change) + iteration 9: trace = 11.01297636688599 (0.00502198% change) + linmin: converged after 5 iterations. + iteration 10: trace = 11.01260628789326 (0.00336045% change) + linmin: converged after 7 iterations. + iteration 11: trace = 11.01234857957487 (0.00234015% change) linmin: converged after 6 iterations. - iteration 12: trace = 11.01216359094502 (0.0017137% change) + iteration 12: trace = 11.01215990956574 (0.00171327% change) + linmin: converged after 7 iterations. + iteration 13: trace = 11.01201523364162 (0.00131379% change) + linmin: converged after 8 iterations. + iteration 14: trace = 11.01189971775823 (0.001049% change) linmin: converged after 5 iterations. - iteration 13: trace = 11.01201889250359 (0.001314% change) + iteration 15: trace = 11.01180414452387 (0.000867912% change) linmin: converged after 5 iterations. - iteration 14: trace = 11.01190335900222 (0.00104916% change) - linmin: converged after 6 iterations. - iteration 15: trace = 11.01180777282683 (0.00086803% change) + iteration 16: trace = 11.01172251460307 (0.000741297% change) + linmin: converged after 5 iterations. + iteration 17: trace = 11.01165073970643 (0.000651807% change) + linmin: converged after 5 iterations. + iteration 18: trace = 11.01158590204387 (0.000588811% change) linmin: converged after 6 iterations. - iteration 16: trace = 11.01172613338406 (0.000741384% change) + iteration 19: trace = 11.01152581638307 (0.00054566% change) + linmin: converged after 5 iterations. + iteration 20: trace = 11.01146875896434 (0.000518162% change) linmin: converged after 5 iterations. - iteration 17: trace = 11.01165435120938 (0.000651872% change) + iteration 21: trace = 11.01141329239898 (0.000503718% change) + linmin: converged after 5 iterations. + iteration 22: trace = 11.0113581485816 (0.000500789% change) linmin: converged after 6 iterations. - iteration 18: trace = 11.01158950814466 (0.00058886% change) + iteration 23: trace = 11.01130214747247 (0.000508577% change) linmin: converged after 5 iterations. - iteration 19: trace = 11.01152941859242 (0.000545695% change) + iteration 24: trace = 11.01124413864326 (0.000526813% change) linmin: converged after 5 iterations. - iteration 20: trace = 11.01147235848932 (0.000518186% change) + iteration 25: trace = 11.01118296174116 (0.000555587% change) linmin: converged after 5 iterations. - iteration 21: trace = 11.01141689040426 (0.000503731% change) + iteration 26: trace = 11.01111741972557 (0.000595233% change) linmin: converged after 5 iterations. - iteration 22: trace = 11.01136174630248 (0.000500792% change) - linmin: converged after 6 iterations. - iteration 23: trace = 11.01130574585398 (0.000508571% change) + iteration 27: trace = 11.01104626895102 (0.000646174% change) linmin: converged after 5 iterations. - iteration 24: trace = 11.01124773891524 (0.000526796% change) - linmin: converged after 6 iterations. - iteration 25: trace = 11.01118656502905 (0.00055556% change) + iteration 28: trace = 11.01096822173999 (0.000708811% change) linmin: converged after 5 iterations. - iteration 26: trace = 11.01112102749233 (0.000595192% change) + iteration 29: trace = 11.01088196726699 (0.000783354% change) + linmin: converged after 5 iterations. + iteration 30: trace = 11.01078620691992 (0.000869692% change) linmin: converged after 6 iterations. - iteration 27: trace = 11.01104988208948 (0.000646125% change) - linmin: converged after 8 iterations. - iteration 28: trace = 11.01097184149831 (0.00070875% change) + iteration 31: trace = 11.0106797008029 (0.000967294% change) + linmin: converged after 6 iterations. + iteration 32: trace = 11.0105613323874 (0.00107504% change) + linmin: converged after 5 iterations. + iteration 33: trace = 11.01043015635217 (0.00119137% change) linmin: converged after 5 iterations. - iteration 29: trace = 11.01088559513982 (0.00078328% change) + iteration 34: trace = 11.0102854555517 (0.00131422% change) linmin: converged after 5 iterations. - iteration 30: trace = 11.01078984340233 (0.000869614% change) + iteration 35: trace = 11.01012681742823 (0.00144083% change) + linmin: converged after 10 iterations. + iteration 36: trace = 11.00995417626046 (0.00156803% change) + linmin: converged after 5 iterations. + iteration 37: trace = 11.00976792249578 (0.0016917% change) linmin: converged after 7 iterations. - iteration 31: trace = 11.01068334817933 (0.000967194% change) + iteration 38: trace = 11.00956886296753 (0.00180804% change) + linmin: converged after 5 iterations. + iteration 39: trace = 11.00935850134855 (0.00191073% change) + linmin: converged after 10 iterations. + iteration 40: trace = 11.00913897072751 (0.00199406% change) linmin: converged after 6 iterations. - iteration 32: trace = 11.01056499140796 (0.00107493% change) + iteration 41: trace = 11.00891307454278 (0.00205192% change) + linmin: converged after 5 iterations. + iteration 42: trace = 11.00868398359359 (0.00208098% change) + linmin: converged after 5 iterations. + iteration 43: trace = 11.00845513656426 (0.00207881% change) linmin: converged after 6 iterations. - iteration 33: trace = 11.01043382733388 (0.00119126% change) + iteration 44: trace = 11.00822971305575 (0.00204775% change) linmin: converged after 6 iterations. - iteration 34: trace = 11.01028914706201 (0.00131404% change) - linmin: converged after 7 iterations. - iteration 35: trace = 11.01013053359286 (0.0014406% change) - linmin: converged after 7 iterations. - iteration 36: trace = 11.00995792301921 (0.00156776% change) - linmin: converged after 7 iterations. - iteration 37: trace = 11.00977167592939 (0.00169164% change) + iteration 45: trace = 11.00801032467743 (0.00199297% change) linmin: converged after 8 iterations. - iteration 38: trace = 11.00957266445536 (0.00180761% change) - linmin: converged after 5 iterations. - iteration 39: trace = 11.00936236143497 (0.0019102% change) + iteration 46: trace = 11.0077988194685 (0.00192139% change) linmin: converged after 6 iterations. - iteration 40: trace = 11.00914281833401 (0.00199417% change) - linmin: converged after 6 iterations. - iteration 41: trace = 11.00891686767058 (0.00205241% change) - linmin: converged after 9 iterations. - iteration 42: trace = 11.00868775032703 (0.00208122% change) - linmin: converged after 5 iterations. - iteration 43: trace = 11.0084589096417 (0.00207875% change) - linmin: converged after 12 iterations. - iteration 44: trace = 11.00823344983199 (0.00204808% change) - linmin: converged after 9 iterations. - iteration 45: trace = 11.0080140939814 (0.00199267% change) + iteration 47: trace = 11.00759632125618 (0.00183961% change) linmin: converged after 7 iterations. - iteration 46: trace = 11.00780255590476 (0.00192169% change) + iteration 48: trace = 11.00740311741911 (0.0017552% change) linmin: converged after 5 iterations. - iteration 47: trace = 11.00760001770885 (0.00183997% change) - linmin: converged after 7 iterations. - iteration 48: trace = 11.00740678109556 (0.0017555% change) + iteration 49: trace = 11.00721921549885 (0.00167073% change) linmin: converged after 5 iterations. - iteration 49: trace = 11.00722284773299 (0.00167101% change) + iteration 50: trace = 11.00704414599405 (0.00159051% change) + linmin: converged after 7 iterations. + iteration 51: trace = 11.00687738197913 (0.00151508% change) linmin: converged after 5 iterations. - iteration 50: trace = 11.00704775256305 (0.00159074% change) + iteration 52: trace = 11.00671829756466 (0.00144533% change) linmin: converged after 6 iterations. - iteration 51: trace = 11.00688096620267 (0.00151528% change) - linmin: converged after 5 iterations. - iteration 52: trace = 11.00672186225088 (0.00144551% change) + iteration 53: trace = 11.00656627171469 (0.00138122% change) linmin: converged after 6 iterations. - iteration 53: trace = 11.00656981916213 (0.00138138% change) + iteration 54: trace = 11.00642074071318 (0.00132223% change) + linmin: converged after 5 iterations. + iteration 55: trace = 11.00628117502868 (0.00126805% change) linmin: converged after 6 iterations. - iteration 54: trace = 11.00642427287568 (0.00132237% change) + iteration 56: trace = 11.00614712038082 (0.00121799% change) linmin: converged after 6 iterations. - iteration 55: trace = 11.00628468112977 (0.00126828% change) + iteration 57: trace = 11.00601822344678 (0.00117114% change) linmin: converged after 6 iterations. - iteration 56: trace = 11.00615061350512 (0.00121811% change) - linmin: converged after 8 iterations. - iteration 57: trace = 11.00602170395818 (0.00117126% change) + iteration 58: trace = 11.00589416247023 (0.00112722% change) linmin: converged after 6 iterations. - iteration 58: trace = 11.00589762648458 (0.00112737% change) + iteration 59: trace = 11.0057746809731 (0.00108562% change) linmin: converged after 5 iterations. - iteration 59: trace = 11.00577813254995 (0.00108573% change) + iteration 60: trace = 11.00565956909693 (0.00104593% change) linmin: converged after 6 iterations. - iteration 60: trace = 11.00566300144329 (0.0010461% change) - linmin: converged after 6 iterations. - iteration 61: trace = 11.00555206639492 (0.00100799% change) - linmin: converged after 5 iterations. - iteration 62: trace = 11.00544518549879 (0.000971159% change) + iteration 61: trace = 11.00554864791739 (0.00100786% change) + linmin: converged after 7 iterations. + iteration 62: trace = 11.00544177681056 (0.00097107% change) linmin: converged after 5 iterations. - iteration 63: trace = 11.00534222252403 (0.000935568% change) + iteration 63: trace = 11.00533883340115 (0.000935391% change) linmin: converged after 6 iterations. - iteration 64: trace = 11.00524306818586 (0.00090097% change) - linmin: converged after 12 iterations. - iteration 65: trace = 11.00514761788367 (0.00086732% change) + iteration 64: trace = 11.00523969551842 (0.00090082% change) + linmin: converged after 5 iterations. + iteration 65: trace = 11.0051442596224 (0.00086719% change) linmin: converged after 5 iterations. - iteration 66: trace = 11.00505576015352 (0.000834683% change) + iteration 66: trace = 11.00505242271423 (0.000834494% change) linmin: converged after 5 iterations. - iteration 67: trace = 11.00496739094925 (0.000802991% change) + iteration 67: trace = 11.00496407491732 (0.000802796% change) linmin: converged after 8 iterations. - iteration 68: trace = 11.00488240083878 (0.000772292% change) + iteration 68: trace = 11.00487910441347 (0.000772114% change) linmin: converged after 6 iterations. - iteration 69: trace = 11.00480067522436 (0.000742633% change) + iteration 69: trace = 11.00479739958969 (0.000742445% change) resetting CG direction... - large trace change predicted (0.115614%) - linmin: converged after 7 iterations. - iteration 70: trace = 10.99201818332646 (0.116221% change) - linmin: converged after 6 iterations. - iteration 71: trace = 10.99062018360728 (0.0127191% change) + large trace change predicted (0.11557%) linmin: converged after 6 iterations. - iteration 72: trace = 10.98948398364962 (0.0103384% change) - linmin: converged after 6 iterations. - iteration 73: trace = 10.98818686599757 (0.011804% change) - linmin: converged after 5 iterations. - iteration 74: trace = 10.9880256117273 (0.00146753% change) + iteration 70: trace = 10.9920197942388 (0.116177% change) + linmin: converged after 7 iterations. + iteration 71: trace = 10.99062140442547 (0.0127227% change) linmin: converged after 5 iterations. - iteration 75: trace = 10.98801515876482 (9.51305e-05% change) + iteration 72: trace = 10.98948414738695 (0.0103481% change) linmin: converged after 7 iterations. - iteration 76: trace = 10.98801412711416 (9.38887e-06% change) - linmin: converged after 9 iterations. - iteration 77: trace = 10.9880140963614 (2.79876e-07% change) + iteration 73: trace = 10.98818663669734 (0.0118075% change) + linmin: converged after 7 iterations. + iteration 74: trace = 10.98802560047907 (0.00146555% change) + linmin: converged after 5 iterations. + iteration 75: trace = 10.98801515750226 (9.50397e-05% change) + linmin: converged after 8 iterations. + iteration 76: trace = 10.98801412697734 (9.37863e-06% change) linmin: converged after 4 iterations. - iteration 78: trace = 10.98801409325149 (2.83027e-08% change) + iteration 77: trace = 10.98801409637495 (2.78507e-07% change) linmin: converged after 3 iterations. - iteration 79: trace = 10.98801409309264 (1.44569e-09% change) + iteration 78: trace = 10.98801409328929 (2.80821e-08% change) linmin: converged after 4 iterations. - iteration 80: trace = 10.98801409333467 (2.20269e-09% change) + iteration 79: trace = 10.98801409322335 (6.00126e-10% change) linmin: converged after 4 iterations. - iteration 81: trace = 10.98801409298139 (3.2152e-09% change) + iteration 80: trace = 10.98801409293307 (2.64174e-09% change) + linmin: converged after 8 iterations. + iteration 81: trace = 10.98801409301549 (7.50085e-10% change) + linmin: converged after 3 iterations. + iteration 82: trace = 10.98801409304845 (2.99934e-10% change) + linmin: converged after 3 iterations. + iteration 83: trace = 10.98801409299939 (4.4653e-10% change) linmin: converged after 3 iterations. - iteration 82: trace = 10.98801409298486 (3.15728e-11% change) -Finished solving for bands 1 to 8 after 82 iterations. + iteration 84: trace = 10.98801409299974 (3.20093e-12% change) +Finished solving for bands 1 to 8 after 84 iterations. tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778 -elapsed time for k point: 0.013908863067626953 +elapsed time for k point: 0.013741731643676758 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... + linmin: converged after 3 iterations. + iteration 1: trace = 10.9037604578484 (0.00793503% change) linmin: converged after 4 iterations. - iteration 1: trace = 10.90376046117272 (0.00793513% change) + iteration 2: trace = 10.90359830286234 (0.00148716% change) linmin: converged after 3 iterations. - iteration 2: trace = 10.90359830372221 (0.00148718% change) + iteration 3: trace = 10.9035096038463 (0.000813487% change) linmin: converged after 3 iterations. - iteration 3: trace = 10.90350960447544 (0.000813489% change) + iteration 4: trace = 10.90345230356728 (0.000525523% change) linmin: converged after 3 iterations. - iteration 4: trace = 10.90345230369252 (0.000525527% change) + iteration 5: trace = 10.90344655289771 (5.27417e-05% change) linmin: converged after 5 iterations. - iteration 5: trace = 10.90344655289646 (5.27429e-05% change) - linmin: converged after 4 iterations. - iteration 6: trace = 10.90344608445356 (4.29628e-06% change) + iteration 6: trace = 10.90344608445446 (4.29629e-06% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.90344604871545 (3.27769e-07% change) - linmin: converged after 4 iterations. - iteration 8: trace = 10.9034460473527 (1.24984e-08% change) + iteration 7: trace = 10.9034460487155 (3.27777e-07% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.9034460473056 (4.32007e-10% change) + iteration 8: trace = 10.9034460473527 (1.24987e-08% change) + linmin: converged after 2 iterations. + iteration 9: trace = 10.9034460473056 (4.31991e-10% change) linmin: converged after 4 iterations. - iteration 10: trace = 10.90344604730441 (1.08829e-11% change) + iteration 10: trace = 10.90344604730442 (1.08666e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 -elapsed time for k point: 0.0016779899597167969 +elapsed time for k point: 0.0015804767608642578 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.8287431874382 (0.00713648% change) + iteration 1: trace = 10.82874318743788 (0.00713648% change) linmin: converged after 3 iterations. - iteration 2: trace = 10.82865179049031 (0.000844025% change) + iteration 2: trace = 10.82865179049016 (0.000844025% change) linmin: converged after 4 iterations. - iteration 3: trace = 10.82863914564414 (0.000116772% change) + iteration 3: trace = 10.82863914564408 (0.000116772% change) linmin: converged after 5 iterations. iteration 4: trace = 10.82863201430644 (6.58563e-05% change) linmin: converged after 5 iterations. @@ -6567,14 +6590,14 @@ linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11044e-07% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.82863032376797 (4.70661e-09% change) - linmin: converged after 2 iterations. - iteration 9: trace = 10.82863032375329 (1.35499e-10% change) + iteration 8: trace = 10.82863032376797 (4.70658e-09% change) linmin: converged after 2 iterations. - iteration 10: trace = 10.82863032375297 (3.00198e-12% change) + iteration 9: trace = 10.82863032375329 (1.35532e-10% change) + linmin: converged after 4 iterations. + iteration 10: trace = 10.82863032375297 (2.98558e-12% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 -elapsed time for k point: 0.001642465591430664 +elapsed time for k point: 0.001619100570678711 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6585,69 +6608,66 @@ iteration 3: trace = 10.76374658323256 (5.80571e-05% change) linmin: converged after 5 iterations. iteration 4: trace = 10.76374528581931 (1.20535e-05% change) - linmin: converged after 5 iterations. + linmin: converged after 19 iterations. + switching to approximate line minimization (decrease time by 68.6695%) iteration 5: trace = 10.76374486740369 (3.88727e-06% change) - linmin: converged after 2 iterations. iteration 6: trace = 10.76374482182858 (4.23413e-07% change) - linmin: converged after 2 iterations. iteration 7: trace = 10.76374481723281 (4.26968e-08% change) - linmin: converged after 2 iterations. - iteration 8: trace = 10.76374481699878 (2.17422e-09% change) - linmin: converged after 2 iterations. + iteration 8: trace = 10.76374481699878 (2.17424e-09% change) iteration 9: trace = 10.76374481699274 (5.61272e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 5, 0.2, 0, 0, 0.2, 0.0934195, 0.40505, 0.612091, 0.907101, 1.10696, 1.40468, 1.6041, 1.90311 -elapsed time for k point: 0.0015027523040771484 +elapsed time for k point: 0.0014028549194335938 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.70890918978214 (0.00701169% change) + iteration 1: trace = 10.70890918978489 (0.00701169% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.70883098425239 (0.000730287% change) - linmin: converged after 5 iterations. - iteration 3: trace = 10.70882611989432 (4.54238e-05% change) + iteration 2: trace = 10.70883098425325 (0.000730287% change) + linmin: converged after 6 iterations. + iteration 3: trace = 10.70882611989467 (4.54238e-05% change) linmin: converged after 2 iterations. - iteration 4: trace = 10.70882574797966 (3.47297e-06% change) + iteration 4: trace = 10.70882574797975 (3.47298e-06% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.70882564389909 (9.71914e-07% change) + iteration 5: trace = 10.70882564389909 (9.71915e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.70882562792913 (1.54008e-08% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.70882562781417 (1.07345e-09% change) + iteration 8: trace = 10.70882562781417 (1.07343e-09% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.70882562781128 (2.70215e-11% change) + iteration 9: trace = 10.70882562781128 (2.70381e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 -elapsed time for k point: 0.0014688968658447266 +elapsed time for k point: 0.001451253890991211 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.66396644581557 (0.00701938% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6638895643872 (0.000720948% change) - linmin: converged after 6 iterations. + linmin: converged after 5 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. - iteration 4: trace = 10.66388497807411 (1.68249e-06% change) + iteration 4: trace = 10.6638849780741 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762051 (3.59533e-08% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.66388494718304 (4.10242e-09% change) + iteration 7: trace = 10.66388494718303 (4.10244e-09% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.66388494713198 (4.78725e-10% change) + iteration 8: trace = 10.66388494713198 (4.78709e-10% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.66388494713049 (1.40258e-11% change) + iteration 9: trace = 10.66388494713049 (1.40091e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533 -elapsed time for k point: 0.001486063003540039 +elapsed time for k point: 0.0014231204986572266 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.62900860023463 (0.00703179% change) + iteration 1: trace = 10.62900860023464 (0.00703179% change) linmin: converged after 4 iterations. iteration 2: trace = 10.62893239530691 (0.000716955% change) linmin: converged after 5 iterations. @@ -6657,99 +6677,90 @@ linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71056e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.62892804604186 (9.72509e-09% change) + iteration 6: trace = 10.62892804604186 (9.72507e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.62892804597542 (6.25047e-10% change) + iteration 7: trace = 10.62892804597542 (6.25097e-10% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.62892804596423 (1.05305e-10% change) + iteration 8: trace = 10.62892804596423 (1.05272e-10% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.62892804596352 (6.71841e-12% change) + iteration 9: trace = 10.62892804596352 (6.7017e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 -elapsed time for k point: 0.0014560222625732422 +elapsed time for k point: 0.0014095306396484375 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) - linmin: converged after 4 iterations. + linmin: converged after 10 iterations. + switching to approximate line minimization (decrease time by 55.4913%) iteration 2: trace = 10.60396176516587 (0.000715115% change) - linmin: converged after 5 iterations. - iteration 3: trace = 10.6039576473093 (3.88332e-05% change) - linmin: converged after 2 iterations. - iteration 4: trace = 10.60395754101094 (1.00244e-06% change) - linmin: converged after 2 iterations. - iteration 5: trace = 10.60395753615697 (4.57751e-08% change) - linmin: converged after 2 iterations. - iteration 6: trace = 10.60395753572879 (4.03788e-09% change) - linmin: converged after 2 iterations. + iteration 3: trace = 10.60395764730978 (3.88332e-05% change) + iteration 4: trace = 10.60395754101102 (1.00244e-06% change) + iteration 5: trace = 10.60395753615698 (4.57758e-08% change) + iteration 6: trace = 10.60395753572879 (4.03796e-09% change) iteration 7: trace = 10.60395753570917 (1.85074e-10% change) - linmin: converged after 2 iterations. - iteration 8: trace = 10.6039575357088 (3.43412e-12% change) + iteration 8: trace = 10.6039575357088 (3.45088e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 -elapsed time for k point: 0.0013175010681152344 +elapsed time for k point: 0.0010645389556884766 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.58905458874505 (0.00704958% change) + iteration 1: trace = 10.58905458874333 (0.00704958% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.58897895638372 (0.000714253% change) - linmin: converged after 5 iterations. - iteration 3: trace = 10.5889748855018 (3.84445e-05% change) - linmin: converged after 2 iterations. - iteration 4: trace = 10.58897478737543 (9.26684e-07% change) - linmin: converged after 2 iterations. - iteration 5: trace = 10.58897478401991 (3.16888e-08% change) - linmin: converged after 2 iterations. + iteration 2: trace = 10.58897895638349 (0.000714253% change) + linmin: converged after 8 iterations. + switching to approximate line minimization (decrease time by 51.6129%) + iteration 3: trace = 10.58897488550179 (3.84445e-05% change) + iteration 4: trace = 10.58897478737544 (9.26684e-07% change) + iteration 5: trace = 10.58897478401991 (3.16889e-08% change) iteration 6: trace = 10.58897478378886 (2.18201e-09% change) - linmin: converged after 2 iterations. - iteration 7: trace = 10.58897478377234 (1.55979e-10% change) - linmin: converged after 2 iterations. - iteration 8: trace = 10.58897478377203 (2.91894e-12% change) + iteration 7: trace = 10.58897478377235 (1.55912e-10% change) + iteration 8: trace = 10.58897478377203 (2.95249e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885 -elapsed time for k point: 0.0013556480407714844 +elapsed time for k point: 0.001112222671508789 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.58406017889885 (0.00705116% change) + iteration 1: trace = 10.58406017889877 (0.00705116% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58398461985988 (0.000713897% change) - linmin: converged after 5 iterations. + linmin: converged after 4 iterations. iteration 3: trace = 10.58398056403726 (3.83204e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58398046806651 (9.06755e-07% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.58398046509703 (2.80564e-08% change) + iteration 5: trace = 10.58398046509703 (2.80563e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.58398046493152 (1.56373e-09% change) + iteration 6: trace = 10.58398046493152 (1.56376e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.58398046491724 (1.34956e-10% change) + iteration 7: trace = 10.58398046491724 (1.34939e-10% change) linmin: converged after 1 iterations. - iteration 8: trace = 10.58398046491709 (1.46016e-12% change) + iteration 8: trace = 10.58398046491708 (1.52729e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 -.elapsed time for k point: 0.0013132095336914062 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820306 at Vector3<0.5, 0.0, 0.0> -Band 2 range: 0.3064030262308441 at Vector3<0.5, 0.0, 0.0> to 0.4687748525867109 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 0.5466257501316966 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541637 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 0.7842615905093815 at Vector3<0.5, 0.0, 0.0> to 0.9893486155436947 at Vector3<0.0, 0.0, 0.0> -Band 5 range: 1.0240548648147032 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025886 at Vector3<0.5, 0.0, 0.0> -Band 6 range: 1.2666566861855078 at Vector3<0.5, 0.0, 0.0> to 1.4970379696968246 at Vector3<0.0, 0.0, 0.0> -Band 7 range: 1.511580099465307 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910524 at Vector3<0.5, 0.0, 0.0> -Band 8 range: 1.7581683208483638 at Vector3<0.5, 0.0, 0.0> to 1.9999072007032743 at Vector3<0.0, 0.0, 0.0> -Gap from band 1 (0.19477466366820306) to band 2 (0.3064030262308441), 44.546421284286% -Gap from band 2 (0.4687748525867109) to band 3 (0.5466257501316966), 15.334026262455426% -Gap from band 3 (0.7316504426541637) to band 4 (0.7842615905093815), 6.941187444158486% -Gap from band 4 (0.9893486155436947) to band 5 (1.0240548648147032), 3.447520540178126% -Gap from band 5 (1.2440980042025886) to band 6 (1.2666566861855078), 1.7969642410132969% -Gap from band 6 (1.4970379696968246) to band 7 (1.511580099465307), 0.9666982936476407% -Gap from band 7 (1.7488359039910524) to band 8 (1.7581683208483638), 0.5322158890606287% -total elapsed time for run: 0.0348963737487793 +.elapsed time for k point: 0.0012731552124023438 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0> +Band 2 range: 0.3064030262308437 at Vector3<0.5, 0.0, 0.0> to 0.4687748525867353 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.5466257501319475 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541646 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 0.7842615905093822 at Vector3<0.5, 0.0, 0.0> to 0.9893486155436341 at Vector3<0.0, 0.0, 0.0> +Band 5 range: 1.0240548648147199 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025878 at Vector3<0.5, 0.0, 0.0> +Band 6 range: 1.2666566861855066 at Vector3<0.5, 0.0, 0.0> to 1.4970379696965217 at Vector3<0.0, 0.0, 0.0> +Band 7 range: 1.5115800994653292 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910506 at Vector3<0.5, 0.0, 0.0> +Band 8 range: 1.7581683208483627 at Vector3<0.5, 0.0, 0.0> to 1.9999072006798366 at Vector3<0.0, 0.0, 0.0> +Gap from band 1 (0.19477466366820304) to band 2 (0.3064030262308437), 44.5464212842859% +Gap from band 2 (0.4687748525867353) to band 3 (0.5466257501319475), 15.334026262495888% +Gap from band 3 (0.7316504426541646) to band 4 (0.7842615905093822), 6.94118744415845% +Gap from band 4 (0.9893486155436341) to band 5 (1.0240548648147199), 3.4475205401858773% +Gap from band 5 (1.2440980042025878) to band 6 (1.2666566861855066), 1.7969642410132804% +Gap from band 6 (1.4970379696965217) to band 7 (1.5115800994653292), 0.9666982936693403% +Gap from band 7 (1.7488359039910506) to band 8 (1.7581683208483627), 0.5322158890606672% +total elapsed time for run: 0.036470651626586914 done -/tmp/meepj2xd8H/test_bragg_sine-0: 0.04s +/tmp/meepaT3ehl/test_bragg_sine-0: 0.04s -/tmp/meepj2xd8H/test_compute_field_energy-0 +/tmp/meepaT3ehl/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6792,7 +6803,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016787052154541016 +elapsed time for initialization: 0.001676321029663086 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -6903,7 +6914,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.15221595764160156 +elapsed time for k point: 0.23900675773620605 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7154,7 +7165,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4289588928222656 +elapsed time for k point: 0.8662686347961426 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7211,7 +7222,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.13879919052124023 +elapsed time for k point: 0.261993408203125 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7264,7 +7275,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08702445030212402 +elapsed time for k point: 0.23084306716918945 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7325,7 +7336,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.4094412326812744 +elapsed time for k point: 0.10523581504821777 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7418,7 +7429,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.5907924175262451 +elapsed time for k point: 0.2458658218383789 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7489,7 +7500,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 1.01716947555542 +elapsed time for k point: 0.15786004066467285 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7550,7 +7561,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.3563816547393799 +elapsed time for k point: 0.20166921615600586 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7603,7 +7614,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.09044051170349121 +elapsed time for k point: 0.08720183372497559 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7655,7 +7666,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08732175827026367 +elapsed time for k point: 0.1132211685180664 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7707,7 +7718,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08617520332336426 +elapsed time for k point: 0.17125940322875977 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7748,7 +7759,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.07466626167297363 +elapsed time for k point: 0.1933155059814453 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7795,7 +7806,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.08009862899780273 +elapsed time for k point: 0.07681393623352051 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7858,7 +7869,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.11054515838623047 +elapsed time for k point: 0.32003355026245117 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7931,7 +7942,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12941932678222656 +elapsed time for k point: 0.23534011840820312 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -8126,7 +8137,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2819228172302246 +elapsed time for k point: 0.5155863761901855 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -8138,13 +8149,13 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 4.1244494915008545 +total elapsed time for run: 4.024750709533691 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 -./tmp/meepj2xd8H/test_compute_field_energy-0: 4.13s +./tmp/meepaT3ehl/test_compute_field_energy-0: 4.03s -/tmp/meepj2xd8H/test_compute_group_velocity-0 +/tmp/meepaT3ehl/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -8187,7 +8198,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016484260559082031 +elapsed time for initialization: 0.0016188621520996094 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -8298,7 +8309,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14307665824890137 +elapsed time for k point: 0.23100566864013672 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8549,7 +8560,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4534163475036621 +elapsed time for k point: 0.6709847450256348 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8606,7 +8617,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09729719161987305 +elapsed time for k point: 0.1777787208557129 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8659,7 +8670,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.09075045585632324 +elapsed time for k point: 0.13465595245361328 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8720,7 +8731,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10162639617919922 +elapsed time for k point: 0.194810152053833 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8813,7 +8824,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1609818935394287 +elapsed time for k point: 0.2737843990325928 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8884,7 +8895,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.12360858917236328 +elapsed time for k point: 0.12125658988952637 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8945,7 +8956,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10352206230163574 +elapsed time for k point: 0.14742636680603027 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8998,7 +9009,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.0881035327911377 +elapsed time for k point: 0.15532302856445312 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9050,7 +9061,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0870208740234375 +elapsed time for k point: 0.0849301815032959 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9102,7 +9113,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.09118318557739258 +elapsed time for k point: 0.19606709480285645 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9143,7 +9154,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.0660560131072998 +elapsed time for k point: 0.32221531867980957 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9190,7 +9201,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07830166816711426 +elapsed time for k point: 0.1317305564880371 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9253,7 +9264,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.16804027557373047 +elapsed time for k point: 0.2573399543762207 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9326,7 +9337,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.28659963607788086 +elapsed time for k point: 0.21399235725402832 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -9521,7 +9532,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.46592259407043457 +.elapsed time for k point: 0.3228576183319092 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -9533,11 +9544,11 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.6085877418518066 +total elapsed time for run: 3.6392412185668945 done -/tmp/meepj2xd8H/test_compute_group_velocity-0: 2.61s +/tmp/meepaT3ehl/test_compute_group_velocity-0: 3.64s -/tmp/meepj2xd8H/test_compute_integrals-0 +/tmp/meepaT3ehl/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -9580,7 +9591,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.001705169677734375 +elapsed time for initialization: 0.0016560554504394531 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -9691,7 +9702,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14751887321472168 +elapsed time for k point: 0.25034260749816895 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -9942,7 +9953,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.49431371688842773 +elapsed time for k point: 1.1789536476135254 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9999,7 +10010,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.12231230735778809 +elapsed time for k point: 0.3219578266143799 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10052,7 +10063,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.13056373596191406 +elapsed time for k point: 0.1654036045074463 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10113,7 +10124,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10110330581665039 +elapsed time for k point: 0.19299674034118652 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10206,7 +10217,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.20039772987365723 +elapsed time for k point: 0.5384786128997803 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -10277,7 +10288,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.1417992115020752 +elapsed time for k point: 0.34445786476135254 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10338,7 +10349,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.1066732406616211 +elapsed time for k point: 0.23950743675231934 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10391,7 +10402,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08686351776123047 +elapsed time for k point: 0.23019647598266602 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10443,7 +10454,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08359718322753906 +elapsed time for k point: 0.2902522087097168 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10495,7 +10506,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08313679695129395 +elapsed time for k point: 0.2530968189239502 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10536,7 +10547,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06598162651062012 +elapsed time for k point: 0.08586239814758301 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10583,7 +10594,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07621049880981445 +elapsed time for k point: 0.11375689506530762 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10646,7 +10657,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10672998428344727 +elapsed time for k point: 0.29102230072021484 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10719,7 +10730,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.20704007148742676 +elapsed time for k point: 0.12459683418273926 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -10914,7 +10925,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.34891247749328613 +elapsed time for k point: 0.47025370597839355 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -10926,14 +10937,14 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.506085157394409 +total elapsed time for run: 5.094534158706665 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099 -./tmp/meepj2xd8H/test_compute_integrals-0: 2.51s +./tmp/meepaT3ehl/test_compute_integrals-0: 5.10s -/tmp/meepj2xd8H/test_diamond-0 +/tmp/meepaT3ehl/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance @@ -10993,7 +11004,7 @@ Vector3<0.325, 0.75, 0.425> Vector3<0.35, 0.75, 0.4> Vector3<0.375, 0.75, 0.375> -elapsed time for initialization: 0.024776220321655273 +elapsed time for initialization: 0.024576902389526367 solve_kpoint (0,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5 Solving for bands 1 to 5... @@ -11110,7 +11121,7 @@ iteration 54: trace = 1.074849137530236 (7.26549e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 -elapsed time for k point: 0.47847986221313477 +elapsed time for k point: 0.6404087543487549 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11184,7 +11195,7 @@ iteration 34: trace = 1.072165047038118 (4.90204e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 -elapsed time for k point: 0.25800013542175293 +elapsed time for k point: 0.5408916473388672 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11249,7 +11260,7 @@ iteration 30: trace = 1.065499286544839 (4.35754e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 -elapsed time for k point: 0.22683286666870117 +elapsed time for k point: 0.9144206047058105 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11312,7 +11323,7 @@ iteration 29: trace = 1.057289581654964 (3.32661e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 -elapsed time for k point: 0.22109031677246094 +elapsed time for k point: 0.4474608898162842 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11373,7 +11384,7 @@ iteration 28: trace = 1.04912749670163 (7.79496e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 -elapsed time for k point: 0.21535277366638184 +elapsed time for k point: 0.3130934238433838 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11472,26 +11483,26 @@ iteration 45: trace = 1.041449469149454 (8.31082e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 -elapsed time for k point: 0.3388514518737793 +elapsed time for k point: 0.5921463966369629 Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 -Outputting /tmp/meepj2xd8H/test_diamond-0-dpwr.k06.b01.h5... +Outputting /tmp/meepaT3ehl/test_diamond-0-dpwr.k06.b01.h5... D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 -Outputting /tmp/meepj2xd8H/test_diamond-0-dpwr.k06.b02.h5... +Outputting /tmp/meepaT3ehl/test_diamond-0-dpwr.k06.b02.h5... D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 -Outputting /tmp/meepj2xd8H/test_diamond-0-dpwr.k06.b03.h5... +Outputting /tmp/meepaT3ehl/test_diamond-0-dpwr.k06.b03.h5... D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 -Outputting /tmp/meepj2xd8H/test_diamond-0-dpwr.k06.b04.h5... +Outputting /tmp/meepaT3ehl/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 -Outputting /tmp/meepj2xd8H/test_diamond-0-dpwr.k06.b05.h5... +Outputting /tmp/meepaT3ehl/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... @@ -11586,7 +11597,7 @@ iteration 44: trace = 1.012177885713604 (8.02686e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 -elapsed time for k point: 0.33161139488220215 +elapsed time for k point: 0.8032960891723633 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11795,7 +11806,7 @@ iteration 98: trace = 0.9843245997396692 (8.09496e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 -elapsed time for k point: 0.7353086471557617 +elapsed time for k point: 2.040802001953125 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11856,7 +11867,7 @@ iteration 28: trace = 0.9576556581103903 (3.51272e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 -elapsed time for k point: 0.2127833366394043 +elapsed time for k point: 0.4399707317352295 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11915,7 +11926,7 @@ iteration 27: trace = 0.9411112577617218 (6.03295e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 -elapsed time for k point: 0.2044365406036377 +elapsed time for k point: 0.4417235851287842 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11970,7 +11981,7 @@ iteration 25: trace = 0.9357235226332389 (8.33507e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 -elapsed time for k point: 0.18999671936035156 +elapsed time for k point: 0.3173818588256836 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12021,7 +12032,7 @@ iteration 23: trace = 0.9457902837559192 (2.35828e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 -elapsed time for k point: 0.17996549606323242 +elapsed time for k point: 0.5345675945281982 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. @@ -12074,7 +12085,7 @@ iteration 24: trace = 0.9752654264419838 (4.50229e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 -elapsed time for k point: 0.18340420722961426 +elapsed time for k point: 0.2798011302947998 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. @@ -12137,7 +12148,7 @@ iteration 29: trace = 1.018103142805605 (4.34884e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 -elapsed time for k point: 0.22142791748046875 +elapsed time for k point: 0.5346145629882812 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -12220,7 +12231,7 @@ iteration 39: trace = 1.053033043400841 (3.75756e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 -elapsed time for k point: 0.29739952087402344 +elapsed time for k point: 1.115286111831665 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. @@ -12285,7 +12296,7 @@ iteration 30: trace = 1.06475158063571 (6.98405e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 -elapsed time for k point: 0.12361001968383789 +elapsed time for k point: 0.4275963306427002 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -12348,7 +12359,7 @@ iteration 29: trace = 1.053900986298104 (7.63534e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 -elapsed time for k point: 0.22878003120422363 +elapsed time for k point: 0.6697239875793457 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 7 iterations. @@ -12417,7 +12428,7 @@ iteration 32: trace = 1.050698953929234 (7.03096e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 -elapsed time for k point: 0.24899578094482422 +elapsed time for k point: 0.42573118209838867 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -12825,7 +12836,7 @@ iteration 195: trace = 1.068626525299044 (4.77698e-11% change) Finished solving for bands 1 to 5 after 195 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 -elapsed time for k point: 1.5718026161193848 +elapsed time for k point: 4.015232801437378 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13062,7 +13073,7 @@ iteration 111: trace = 1.073945835690716 (6.83328e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 -elapsed time for k point: 1.0797691345214844 +elapsed time for k point: 1.7640459537506104 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13143,7 +13154,7 @@ iteration 38: trace = 1.074849137511867 (9.56888e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 -elapsed time for k point: 0.3002634048461914 +elapsed time for k point: 0.526416540145874 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13259,7 +13270,7 @@ iteration 54: trace = 1.072295938991746 (8.26846e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 -elapsed time for k point: 0.43166565895080566 +elapsed time for k point: 1.1824774742126465 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13348,7 +13359,7 @@ iteration 41: trace = 1.06896993103593 (7.09773e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 -elapsed time for k point: 0.3092496395111084 +elapsed time for k point: 0.4115169048309326 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13440,7 +13451,7 @@ iteration 43: trace = 1.066421531906148 (5.32821e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 -elapsed time for k point: 0.32320523262023926 +elapsed time for k point: 0.4168534278869629 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13532,7 +13543,7 @@ iteration 42: trace = 1.064700431018217 (3.86445e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 -elapsed time for k point: 0.3213942050933838 +elapsed time for k point: 0.7924573421478271 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13691,7 +13702,7 @@ iteration 73: trace = 1.065402856570141 (7.28406e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 -elapsed time for k point: 0.5479238033294678 +elapsed time for k point: 0.7131412029266357 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13780,7 +13791,7 @@ iteration 42: trace = 1.057545258821418 (4.69266e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 -elapsed time for k point: 0.3150625228881836 +elapsed time for k point: 0.5613358020782471 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13845,7 +13856,7 @@ iteration 30: trace = 1.048737745947215 (6.70747e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 -elapsed time for k point: 0.22636103630065918 +elapsed time for k point: 0.27086806297302246 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13916,7 +13927,7 @@ iteration 33: trace = 1.042055197882128 (5.94716e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 -elapsed time for k point: 0.24834728240966797 +elapsed time for k point: 0.32448863983154297 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13999,7 +14010,7 @@ iteration 39: trace = 1.039345689984554 (8.33191e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 -elapsed time for k point: 0.2924656867980957 +elapsed time for k point: 0.5535633563995361 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -14115,18 +14126,18 @@ iteration 54: trace = 1.040877620150956 (8.66524e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 -Felapsed time for k point: 0.5363864898681641 +Felapsed time for k point: 1.1561484336853027 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3945510789590513 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080589 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729914 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254651 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4435551651219819 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898842 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148922 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926974 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967658014080589) to band 3 (0.44237076681729914), 10.869497799550695% -total elapsed time for run: 11.446264743804932 +total elapsed time for run: 24.208911657333374 done -/tmp/meepj2xd8H/test_diamond-0: 11.45s +/tmp/meepaT3ehl/test_diamond-0: 24.25s -/tmp/meepj2xd8H/test_epsilon_input_file-0 +/tmp/meepaT3ehl/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -14168,7 +14179,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0024831295013427734 +elapsed time for initialization: 0.002883434295654297 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -14297,7 +14308,7 @@ iteration 61: trace = 5.414470666068269 (7.21439e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 -elapsed time for k point: 0.18082571029663086 +elapsed time for k point: 0.3383629322052002 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14346,7 +14357,7 @@ iteration 22: trace = 5.384693219081504 (7.52974e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 -elapsed time for k point: 0.08859753608703613 +elapsed time for k point: 0.08921551704406738 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14389,7 +14400,7 @@ iteration 19: trace = 5.344827613715932 (7.50946e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 -elapsed time for k point: 0.07526278495788574 +elapsed time for k point: 0.08100461959838867 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14436,7 +14447,7 @@ iteration 21: trace = 5.332538776580064 (2.56833e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 -elapsed time for k point: 0.07894301414489746 +elapsed time for k point: 0.20164847373962402 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14489,7 +14500,7 @@ iteration 24: trace = 5.352151659035264 (5.86128e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 -elapsed time for k point: 0.09699440002441406 +elapsed time for k point: 0.10544848442077637 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14560,7 +14571,7 @@ iteration 33: trace = 5.378204986194201 (9.65267e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222 -elapsed time for k point: 0.12038016319274902 +elapsed time for k point: 0.2057628631591797 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14615,7 +14626,7 @@ iteration 25: trace = 5.28099171481807 (8.74221e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 -elapsed time for k point: 0.09233331680297852 +elapsed time for k point: 0.1060323715209961 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14664,7 +14675,7 @@ iteration 22: trace = 5.121436678029987 (6.8537e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532 -elapsed time for k point: 0.08381962776184082 +elapsed time for k point: 0.08416247367858887 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14703,7 +14714,7 @@ iteration 17: trace = 4.989265495381124 (5.02366e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 -elapsed time for k point: 0.0651545524597168 +elapsed time for k point: 0.06999444961547852 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14740,7 +14751,7 @@ iteration 16: trace = 4.906005206120705 (8.86186e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708 -elapsed time for k point: 0.06024789810180664 +elapsed time for k point: 0.06564807891845703 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -14777,7 +14788,7 @@ iteration 16: trace = 4.877776571705258 (7.50562e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735 -elapsed time for k point: 0.06084132194519043 +elapsed time for k point: 0.12172412872314453 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14814,7 +14825,7 @@ iteration 16: trace = 4.93354121021467 (4.66634e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665 -elapsed time for k point: 0.058876991271972656 +elapsed time for k point: 0.08312797546386719 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14859,7 +14870,7 @@ iteration 20: trace = 5.086788979299675 (3.47464e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247 -elapsed time for k point: 0.13988566398620605 +elapsed time for k point: 0.24681425094604492 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14914,7 +14925,7 @@ iteration 25: trace = 5.263256512288835 (3.41214e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602 -elapsed time for k point: 0.09545707702636719 +elapsed time for k point: 0.09009575843811035 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14973,7 +14984,7 @@ iteration 27: trace = 5.362887848881173 (8.62195e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311 -elapsed time for k point: 0.10692882537841797 +elapsed time for k point: 0.09779739379882812 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -15051,7 +15062,7 @@ iteration 36: trace = 5.414470666066688 (4.42246e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 -F.elapsed time for k point: 0.11341190338134766 +F.elapsed time for k point: 0.09938812255859375 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772997 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059665 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814895 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009809 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255613 at Vector3<0.0, 0.0, 0.0> @@ -15063,15 +15074,15 @@ Gap from band 2 (0.5781812856814895) to band 3 (0.5781815082009809), 3.848610359408257e-05% Gap from band 4 (0.8051999839699233) to band 5 (0.8170847453549128), 1.4651880980147938% Gap from band 7 (1.0580309832489805) to band 8 (1.0660233597945301), 0.7525585747582643% -total elapsed time for run: 1.5254909992218018 +total elapsed time for run: 2.0905299186706543 done -/tmp/meepj2xd8H/test_epsilon_input_file-0: 1.53s +/tmp/meepaT3ehl/test_epsilon_input_file-0: 2.09s -/tmp/meepj2xd8H/test_first_brillouin_zone-0 +/tmp/meepaT3ehl/test_first_brillouin_zone-0 ======================== -/tmp/meepj2xd8H/test_first_brillouin_zone-0: 0.11s +/tmp/meepaT3ehl/test_first_brillouin_zone-0: 0.11s -/tmp/meepj2xd8H/test_fractional_lattice-0 +/tmp/meepaT3ehl/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15114,7 +15125,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0002701282501220703 +elapsed time for initialization: 0.0002446174621582031 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -15123,7 +15134,7 @@ linmin: converged after 7 iterations. iteration 2: trace = 83.85049109174184 (11.9223% change) linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 52.5641%) + switching to approximate line minimization (decrease time by 53.3333%) iteration 3: trace = 83.34611109428172 (0.603338% change) iteration 4: trace = 83.33359978597156 (0.0150124% change) iteration 5: trace = 83.33333949085095 (0.000312354% change) @@ -15133,7 +15144,7 @@ iteration 9: trace = 83.33333333333447 (5.7895e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 -elapsed time for k point: 0.0019190311431884766 +elapsed time for k point: 0.0018296241760253906 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. @@ -15142,115 +15153,115 @@ iteration 2: trace = 82.33333333333383 (1.54306e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 -elapsed time for k point: 0.002062082290649414 +elapsed time for k point: 0.0014035701751708984 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82.6666666666667 (6.01669e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 -elapsed time for k point: 0.00024819374084472656 +elapsed time for k point: 0.0002186298370361328 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (5.05524e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 -elapsed time for k point: 0.00023674964904785156 +elapsed time for k point: 0.00020885467529296875 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 87.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 -elapsed time for k point: 0.00024890899658203125 +elapsed time for k point: 0.000217437744140625 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 47 iterations. iteration 1: trace = 91.66666666666666 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 -elapsed time for k point: 0.0005550384521484375 +elapsed time for k point: 0.0005331039428710938 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 8 iterations. - switching to approximate line minimization (decrease time by 61.157%) + switching to approximate line minimization (decrease time by 61.8644%) iteration 1: trace = 90.66666666672697 (3.571% change) iteration 2: trace = 90.6666672264862 (6.17382e-07% change) iteration 3: trace = 90.66666666666707 (6.17448e-07% change) iteration 4: trace = 90.66666666666671 (3.91843e-13% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 -elapsed time for k point: 0.00046563148498535156 +elapsed time for k point: 0.00043463706970214844 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91 (9.36979e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 -elapsed time for k point: 0.00023102760314941406 +elapsed time for k point: 0.00020694732666015625 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 58.4158%) + switching to approximate line minimization (decrease time by 55.7692%) iteration 1: trace = 92.66666666666669 (1.53355e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 -elapsed time for k point: 0.0009033679962158203 +elapsed time for k point: 0.0002415180206298828 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 56.1905%) + switching to approximate line minimization (decrease time by 57.1429%) iteration 1: trace = 95.66666666666669 (2.97091e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 -elapsed time for k point: 0.0002734661102294922 +elapsed time for k point: 0.00024247169494628906 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 45 iterations. iteration 1: trace = 99.99999999999999 (2.84217e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435 -elapsed time for k point: 0.0007719993591308594 +elapsed time for k point: 0.0005125999450683594 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.33333333333334 (1.55593e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 -elapsed time for k point: 0.000240325927734375 +elapsed time for k point: 0.000232696533203125 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 55.3191%) + switching to approximate line minimization (decrease time by 52.1277%) iteration 1: trace = 85.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 -elapsed time for k point: 0.0010063648223876953 +elapsed time for k point: 0.0002346038818359375 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 53.6842%) + switching to approximate line minimization (decrease time by 52.6882%) iteration 1: trace = 82 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 -elapsed time for k point: 0.00026345252990722656 +elapsed time for k point: 0.00023365020751953125 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 52.5253%) + switching to approximate line minimization (decrease time by 55.4455%) iteration 1: trace = 81.33333333333333 (1.74724e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 -elapsed time for k point: 0.00026154518127441406 +elapsed time for k point: 0.0002453327178955078 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 83.33333333333331 (0% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 -.elapsed time for k point: 0.0008041858673095703 +.elapsed time for k point: 0.0001862049102783203 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193143 at Vector3<0.5, 0.5, 0.0> Band 2 range: 1.4433756729740648 at Vector3<0.5, 0.0, 0.0> to 2.8867513459481358 at Vector3<0.0, 0.0, 0.0> Band 3 range: 2.0412414523193156 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395086 at Vector3<0.5, 0.0, 0.0> @@ -15259,11 +15270,11 @@ Band 6 range: 3.2274861218395143 at Vector3<0.5, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> Band 7 range: 3.6968455021364717 at Vector3<0.2, 0.0, 0.0> to 4.564354645876387 at Vector3<0.5, 0.5, 0.0> Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665332 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.011196374893188477 +total elapsed time for run: 0.007815122604370117 done -/tmp/meepj2xd8H/test_fractional_lattice-0: 0.01s +/tmp/meepaT3ehl/test_fractional_lattice-0: 0.01s -/tmp/meepj2xd8H/test_get_bfield-0 +/tmp/meepaT3ehl/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15306,7 +15317,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.002904653549194336 +elapsed time for initialization: 0.0018110275268554688 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -15417,7 +15428,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.16116571426391602 +elapsed time for k point: 0.17688918113708496 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15668,7 +15679,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4584019184112549 +elapsed time for k point: 0.7121436595916748 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15725,7 +15736,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.10382413864135742 +elapsed time for k point: 0.18280315399169922 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15778,7 +15789,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08942008018493652 +elapsed time for k point: 0.1321241855621338 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15839,7 +15850,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.11030936241149902 +elapsed time for k point: 0.16165542602539062 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15932,7 +15943,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.20321321487426758 +elapsed time for k point: 0.3129911422729492 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -16003,7 +16014,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.12168002128601074 +elapsed time for k point: 0.34912991523742676 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16064,7 +16075,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.27262377738952637 +elapsed time for k point: 0.24826765060424805 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16117,7 +16128,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.0872650146484375 +elapsed time for k point: 0.13547205924987793 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16169,7 +16180,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.6358413696289062 +elapsed time for k point: 0.13224577903747559 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16221,7 +16232,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.0833432674407959 +elapsed time for k point: 0.15776467323303223 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16262,7 +16273,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.6934328079223633 +elapsed time for k point: 0.08251309394836426 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16309,7 +16320,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.6039688587188721 +elapsed time for k point: 0.13640975952148438 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16372,7 +16383,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10712075233459473 +elapsed time for k point: 0.1045835018157959 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16445,7 +16456,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12783002853393555 +elapsed time for k point: 0.3718295097351074 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -16640,7 +16651,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.40402698516845703 +elapsed time for k point: 0.46915221214294434 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -16652,12 +16663,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 4.267505645751953 +total elapsed time for run: 3.8691792488098145 done Fixing b-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 -./tmp/meepj2xd8H/test_get_bfield-0: 4.27s +./tmp/meepaT3ehl/test_get_bfield-0: 3.87s -/tmp/meepj2xd8H/test_get_dfield-0 +/tmp/meepaT3ehl/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -16700,7 +16711,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.001674652099609375 +elapsed time for initialization: 0.0017633438110351562 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -16811,7 +16822,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1764843463897705 +elapsed time for k point: 0.29600954055786133 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17062,7 +17073,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4712789058685303 +elapsed time for k point: 0.7990152835845947 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17119,7 +17130,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.0949087142944336 +elapsed time for k point: 0.13698053359985352 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17172,7 +17183,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08744955062866211 +elapsed time for k point: 0.21173477172851562 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17233,7 +17244,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10112428665161133 +elapsed time for k point: 0.1333167552947998 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17326,7 +17337,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15731215476989746 +elapsed time for k point: 0.26967573165893555 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17397,7 +17408,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11859941482543945 +elapsed time for k point: 0.3297877311706543 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17458,7 +17469,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10133576393127441 +elapsed time for k point: 0.2313528060913086 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17511,7 +17522,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.2567787170410156 +elapsed time for k point: 0.09122633934020996 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17563,7 +17574,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0866539478302002 +elapsed time for k point: 0.11093449592590332 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17615,7 +17626,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08956289291381836 +elapsed time for k point: 0.1404402256011963 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17656,7 +17667,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.07134580612182617 +elapsed time for k point: 0.07501029968261719 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17703,7 +17714,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.08091092109680176 +elapsed time for k point: 0.12144684791564941 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17766,7 +17777,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10486125946044922 +elapsed time for k point: 0.20248746871948242 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17839,7 +17850,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.20658063888549805 +elapsed time for k point: 0.2539525032043457 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -18034,7 +18045,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.30438232421875 +elapsed time for k point: 0.5210394859313965 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -18046,12 +18057,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.5122697353363037 +total elapsed time for run: 3.9277353286743164 done Fixing d-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 8.66842 -./tmp/meepj2xd8H/test_get_dfield-0: 2.52s +./tmp/meepaT3ehl/test_get_dfield-0: 3.93s -/tmp/meepj2xd8H/test_get_efield-0 +/tmp/meepaT3ehl/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -18094,7 +18105,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0020062923431396484 +elapsed time for initialization: 0.0016164779663085938 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -18205,7 +18216,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.16801738739013672 +elapsed time for k point: 0.14491009712219238 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18456,7 +18467,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4566223621368408 +elapsed time for k point: 0.5018899440765381 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18513,7 +18524,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.10179877281188965 +elapsed time for k point: 0.09528565406799316 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18566,7 +18577,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08946084976196289 +elapsed time for k point: 0.15655755996704102 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18627,7 +18638,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10549688339233398 +elapsed time for k point: 0.11743474006652832 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18720,7 +18731,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.16764187812805176 +elapsed time for k point: 0.1585693359375 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18791,7 +18802,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.12775206565856934 +elapsed time for k point: 0.12122058868408203 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18852,7 +18863,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10551977157592773 +elapsed time for k point: 0.10220599174499512 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18905,7 +18916,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.10435724258422852 +elapsed time for k point: 0.08746886253356934 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18957,7 +18968,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.09064197540283203 +elapsed time for k point: 0.08432602882385254 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19009,7 +19020,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08823800086975098 +elapsed time for k point: 0.08336710929870605 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19050,7 +19061,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.07917642593383789 +elapsed time for k point: 0.16121649742126465 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19097,7 +19108,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.08456921577453613 +elapsed time for k point: 0.10548949241638184 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19160,7 +19171,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.11229681968688965 +elapsed time for k point: 0.2188549041748047 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19233,7 +19244,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1365795135498047 +elapsed time for k point: 0.25550007820129395 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -19428,7 +19439,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2787792682647705 +elapsed time for k point: 0.5206398963928223 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -19440,12 +19451,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.30039381980896 +total elapsed time for run: 2.917886972427368 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 -./tmp/meepj2xd8H/test_get_efield-0: 2.30s +./tmp/meepaT3ehl/test_get_efield-0: 2.92s -/tmp/meepj2xd8H/test_get_eigenvectors-0 +/tmp/meepaT3ehl/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -19488,7 +19499,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016865730285644531 +elapsed time for initialization: 0.09375810623168945 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -19599,7 +19610,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14996600151062012 +elapsed time for k point: 0.17091012001037598 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896 @@ -19858,7 +19869,7 @@ iteration 121: trace = 5.540497242579407 (3.78003e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.5513162612915039 +elapsed time for k point: 0.6004111766815186 Fixing h-field (band 1) phase by -1 + 2.61427e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113019i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000419897 + -1i; max ampl. = 3.73536 @@ -19923,7 +19934,7 @@ iteration 26: trace = 5.499374946276069 (6.7703e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09917092323303223 +elapsed time for k point: 0.15213823318481445 Fixing h-field (band 1) phase by 1 + -4.12194e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.21223e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10235e-09 + 1i; max ampl. = 2.65638 @@ -19984,7 +19995,7 @@ iteration 24: trace = 5.485459080087862 (6.15439e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.09202909469604492 +elapsed time for k point: 0.1638469696044922 Fixing h-field (band 1) phase by 1 + 7.1591e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -7.98183e-14i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.69267e-13i; max ampl. = 2.62315 @@ -20053,7 +20064,7 @@ iteration 28: trace = 5.504362091981044 (5.80731e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10636377334594727 +elapsed time for k point: 0.23694205284118652 Fixing h-field (band 1) phase by 1 + 2.84818e-17i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -6.0752e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.06662e-15i; max ampl. = 3.69829 @@ -20154,7 +20165,7 @@ iteration 44: trace = 5.53886686855396 (9.67896e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.16443800926208496 +elapsed time for k point: 0.26774144172668457 Fixing h-field (band 1) phase by 1 + 2.84834e-16i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 4.42688e-16i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + -8.91348e-15i; max ampl. = 4.1103 @@ -20233,7 +20244,7 @@ iteration 33: trace = 5.419797732958385 (9.1181e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.12547993659973145 +elapsed time for k point: 0.28473353385925293 Fixing h-field (band 1) phase by 1 + -2.11651e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + 9.73269e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + -1.10938e-14i; max ampl. = 3.95334 @@ -20302,7 +20313,7 @@ iteration 28: trace = 5.240853948733919 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.11630535125732422 +elapsed time for k point: 0.3317549228668213 Fixing h-field (band 1) phase by 1 + -1.44601e-15i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + -1.47743e-12i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + -6.29985e-13i; max ampl. = 3.50756 @@ -20363,7 +20374,7 @@ iteration 24: trace = 5.096544273410624 (7.60169e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.09057331085205078 +elapsed time for k point: 0.16981124877929688 Fixing h-field (band 1) phase by 1 + 9.38664e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + 1.41968e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by 1 + -1.85784e-12i; max ampl. = 2.78416 @@ -20423,7 +20434,7 @@ iteration 23: trace = 5.00643649634139 (6.07265e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08581876754760742 +elapsed time for k point: 0.08369731903076172 Fixing h-field (band 1) phase by 1 + 2.68134e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -6.0366e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + -3.86248e-15i; max ampl. = 1.66014 @@ -20483,7 +20494,7 @@ iteration 23: trace = 4.975984265381783 (5.45296e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.09511351585388184 +elapsed time for k point: 0.16443657875061035 Fixing h-field (band 1) phase by 1 + 4.59531e-16i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.56321e-14i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.00373e-14 + 1i; max ampl. = 1.85505 @@ -20532,7 +20543,7 @@ iteration 18: trace = 5.036378479895268 (5.46164e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.07166504859924316 +elapsed time for k point: 0.06610774993896484 Fixing h-field (band 1) phase by 1 + -1.62776e-16i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.61911e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -7.36723e-10 + -1i; max ampl. = 1.92561 @@ -20587,7 +20598,7 @@ iteration 21: trace = 5.206566305891691 (3.91841e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.08097290992736816 +elapsed time for k point: 0.1614835262298584 Fixing h-field (band 1) phase by 1 + 7.58827e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + -3.10572e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -1.25666e-09 + 1i; max ampl. = 2.16532 @@ -20658,7 +20669,7 @@ iteration 29: trace = 5.417088766409227 (6.15173e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.1137990951538086 +elapsed time for k point: 0.22889351844787598 Fixing h-field (band 1) phase by 1 + -1.02199e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -5.27148e-17i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -6.75994e-10 + 1i; max ampl. = 2.6696 @@ -20739,7 +20750,7 @@ iteration 34: trace = 5.522267645664733 (5.18213e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.13422250747680664 +elapsed time for k point: 0.2231884002685547 Fixing h-field (band 1) phase by 1 + 2.70996e-16i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 1.12018e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by -5.14782e-10 + 1i; max ampl. = 3.59476 @@ -20942,7 +20953,7 @@ iteration 93: trace = 5.548117725324992 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2760162353515625 +elapsed time for k point: 0.38274288177490234 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + 1.5467e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by 8.70998e-12 + 1i; max ampl. = 4.27896 @@ -20962,11 +20973,11 @@ Gap from band 2 (0.593140514116089) to band 3 (0.5931535863117835), 0.002203870977651936% Gap from band 4 (0.8096891551677103) to band 5 (0.8241814443502159), 1.7739824912427593% Gap from band 7 (1.0860729323594152) to band 8 (1.0878689635052694), 0.16523267243441003% -total elapsed time for run: 2.3752994537353516 +total elapsed time for run: 3.796820640563965 done -/tmp/meepj2xd8H/test_get_eigenvectors-0: 2.39s +/tmp/meepaT3ehl/test_get_eigenvectors-0: 3.81s -/tmp/meepj2xd8H/test_get_hfield-0 +/tmp/meepaT3ehl/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -21009,7 +21020,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0017676353454589844 +elapsed time for initialization: 0.0017571449279785156 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -21120,7 +21131,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.15685129165649414 +elapsed time for k point: 0.3075389862060547 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21371,7 +21382,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.1597540378570557 +elapsed time for k point: 0.85697340965271 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21428,7 +21439,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.10378837585449219 +elapsed time for k point: 0.1258678436279297 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21481,7 +21492,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.10247683525085449 +elapsed time for k point: 0.3707311153411865 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21542,7 +21553,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.1083221435546875 +elapsed time for k point: 0.14206624031066895 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21635,7 +21646,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15711569786071777 +elapsed time for k point: 0.26654982566833496 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21706,7 +21717,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11991095542907715 +elapsed time for k point: 0.20483136177062988 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21767,7 +21778,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10874056816101074 +elapsed time for k point: 0.19517898559570312 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21820,7 +21831,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.09096145629882812 +elapsed time for k point: 0.08834695816040039 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21872,7 +21883,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08863139152526855 +elapsed time for k point: 0.21451449394226074 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21924,7 +21935,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08887147903442383 +elapsed time for k point: 0.08324408531188965 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21965,7 +21976,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.08583688735961914 +elapsed time for k point: 0.1870403289794922 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22012,7 +22023,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.08400654792785645 +elapsed time for k point: 0.21667194366455078 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22075,7 +22086,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.1755232810974121 +elapsed time for k point: 0.10675287246704102 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22148,7 +22159,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1325385570526123 +elapsed time for k point: 0.20355892181396484 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -22343,7 +22354,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.28190016746520996 +elapsed time for k point: 0.46785712242126465 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -22355,12 +22366,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 3.0484259128570557 +total elapsed time for run: 4.040886402130127 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 -./tmp/meepj2xd8H/test_get_hfield-0: 3.05s +./tmp/meepaT3ehl/test_get_hfield-0: 4.04s -/tmp/meepj2xd8H/test_handle_cvector-0 +/tmp/meepaT3ehl/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -22403,7 +22414,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.002389669418334961 +elapsed time for initialization: 0.0017132759094238281 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -22458,7 +22469,7 @@ iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.08648800849914551 +elapsed time for k point: 0.17143559455871582 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22499,7 +22510,7 @@ iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.0724027156829834 +elapsed time for k point: 0.12858867645263672 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22534,7 +22545,7 @@ iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.05694103240966797 +elapsed time for k point: 0.11366724967956543 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22567,7 +22578,7 @@ iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.05467581748962402 +elapsed time for k point: 0.0945580005645752 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22598,7 +22609,7 @@ iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.04877591133117676 +elapsed time for k point: 0.04821491241455078 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22629,7 +22640,7 @@ iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.05453085899353027 +elapsed time for k point: 0.1414639949798584 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22658,7 +22669,7 @@ iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.04578113555908203 +elapsed time for k point: 0.04460930824279785 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22687,7 +22698,7 @@ iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.05595231056213379 +elapsed time for k point: 0.2160336971282959 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22712,7 +22723,7 @@ iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.03804612159729004 +elapsed time for k point: 0.03761649131774902 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22737,7 +22748,7 @@ iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.0377812385559082 +elapsed time for k point: 0.03753089904785156 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22760,7 +22771,7 @@ iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.03416848182678223 +elapsed time for k point: 0.21504926681518555 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953 @@ -22795,7 +22806,7 @@ iteration 11: trace = 4.197854050309301 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.04356551170349121 +elapsed time for k point: 0.11527514457702637 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22824,7 +22835,7 @@ iteration 12: trace = 4.283266488990682 (1.1156e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.04766416549682617 +elapsed time for k point: 0.04470109939575195 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22855,7 +22866,7 @@ iteration 13: trace = 4.410102274545235 (2.52551e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.05755162239074707 +elapsed time for k point: 0.04806375503540039 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22894,7 +22905,7 @@ iteration 17: trace = 4.534517622757205 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.06287598609924316 +elapsed time for k point: 0.06254267692565918 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -22931,7 +22942,7 @@ iteration 16: trace = 4.577894626572485 (2.54547e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.04998016357421875 +elapsed time for k point: 0.15995359420776367 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> @@ -22945,7 +22956,7 @@ Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% -total elapsed time for run: 0.8531296253204346 +total elapsed time for run: 1.6843116283416748 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -22963,9 +22974,9 @@ imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 -./tmp/meepj2xd8H/test_handle_cvector-0: 0.88s +./tmp/meepaT3ehl/test_handle_cvector-0: 1.71s -/tmp/meepj2xd8H/test_hermitian_eps-0 +/tmp/meepaT3ehl/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance @@ -23003,7 +23014,7 @@ Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Vector3<0.16666666666666669, 0.16666666666666669, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0020847320556640625 +elapsed time for initialization: 0.0020482540130615234 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10 Solving for bands 2 to 10... @@ -27245,7 +27256,7 @@ iteration 1890: trace = 2.393039433651856 (8.96144e-11% change) Finished solving for bands 2 to 10 after 1890 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 -elapsed time for k point: 16.839439153671265 +elapsed time for k point: 22.235321044921875 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -30542,7 +30553,7 @@ iteration 1452: trace = 2.412629747527517 (5.70428e-11% change) Finished solving for bands 1 to 10 after 1452 iterations. tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 -elapsed time for k point: 11.351384401321411 +elapsed time for k point: 23.109100580215454 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -33816,7 +33827,7 @@ iteration 1463: trace = 2.451789423162954 (8.10551e-11% change) Finished solving for bands 1 to 10 after 1463 iterations. tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287 -elapsed time for k point: 13.36214303970337 +elapsed time for k point: 17.29080295562744 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -36643,7 +36654,7 @@ iteration 1257: trace = 2.449292757577576 (7.28517e-11% change) Finished solving for bands 1 to 10 after 1257 iterations. tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689 -elapsed time for k point: 14.316107749938965 +elapsed time for k point: 17.060182571411133 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -38972,7 +38983,7 @@ iteration 1035: trace = 2.48586519505634 (7.8086e-11% change) Finished solving for bands 1 to 10 after 1035 iterations. tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894 -elapsed time for k point: 10.679912805557251 +elapsed time for k point: 15.59912371635437 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -40548,7 +40559,7 @@ iteration 696: trace = 2.578881665297254 (5.93926e-11% change) Finished solving for bands 1 to 10 after 696 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 -elapsed time for k point: 5.381920576095581 +elapsed time for k point: 9.275921106338501 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -41696,7 +41707,7 @@ iteration 507: trace = 2.653860956900614 (6.66336e-11% change) Finished solving for bands 1 to 10 after 507 iterations. tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323 -elapsed time for k point: 3.8975088596343994 +elapsed time for k point: 6.568856954574585 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -43116,7 +43127,7 @@ iteration 624: trace = 2.532226604596985 (7.32015e-11% change) Finished solving for bands 1 to 10 after 624 iterations. tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154 -elapsed time for k point: 4.7843544483184814 +elapsed time for k point: 7.517002105712891 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. @@ -45063,7 +45074,7 @@ iteration 863: trace = 2.429159854303058 (6.45889e-11% change) Finished solving for bands 1 to 10 after 863 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 -elapsed time for k point: 6.645293712615967 +elapsed time for k point: 10.024311542510986 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. @@ -46442,7 +46453,7 @@ iteration 612: trace = 2.393039432060148 (9.63879e-11% change) Finished solving for bands 2 to 10 after 612 iterations. tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 -.elapsed time for k point: 4.007036209106445 +.elapsed time for k point: 7.0183069705963135 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21564852630526718 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.26588497856380056 at Vector3<0.0, 0.0, 0.0> to 0.35463024054718184 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.3562142355910895 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517897584 at Vector3<0.5, 0.0, 0.0> @@ -46458,11 +46469,11 @@ Gap from band 3 (0.36527833517897584) to band 4 (0.3689901366641175), 1.0110202541652482% Gap from band 7 (0.6079200818062316) to band 8 (0.6150518764858982), 1.1663055119638421% Gap from band 8 (0.6356807846306177) to band 9 (0.6397097609322201), 0.6318027549474047% -total elapsed time for run: 91.26849913597107 +total elapsed time for run: 135.702077627182 done -/tmp/meepj2xd8H/test_hermitian_eps-0: 91.27s +/tmp/meepaT3ehl/test_hermitian_eps-0: 135.70s -/tmp/meepj2xd8H/test_hole_slab-0 +/tmp/meepaT3ehl/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance @@ -46496,7 +46507,7 @@ Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -elapsed time for initialization: 0.12655973434448242 +elapsed time for initialization: 0.12808966636657715 solve_kpoint (-0.333333,0.333333,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9 Solving for bands 1 to 9... @@ -46565,17 +46576,17 @@ iteration 31: trace = 2.187958069704338 (9.32646e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 -elapsed time for k point: 15.70053505897522 -total elapsed time for run: 15.827218532562256 +elapsed time for k point: 24.079874515533447 +total elapsed time for run: 24.208099603652954 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 -FOutputting fields to /tmp/meepj2xd8H/test_hole_slab-0-h.k01.b09.z.zeven.h5... +FOutputting fields to /tmp/meepaT3ehl/test_hole_slab-0-h.k01.b09.z.zeven.h5... eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0 mean flops per iteration = 232048195.5483871 -mean time per iteration = 0.5105554365342663 s -/tmp/meepj2xd8H/test_hole_slab-0: 15.85s +mean time per iteration = 0.7809064388275146 s +/tmp/meepaT3ehl/test_hole_slab-0: 24.23s -/tmp/meepj2xd8H/test_honey_rods-0 +/tmp/meepaT3ehl/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -46620,7 +46631,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0018720626831054688 +elapsed time for initialization: 0.0018534660339355469 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -46706,7 +46717,7 @@ iteration 38: trace = 4.384870359114359 (2.58866e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 -elapsed time for k point: 0.11049938201904297 +elapsed time for k point: 0.15081143379211426 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46780,7 +46791,7 @@ iteration 34: trace = 4.363900038828969 (4.22729e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 -elapsed time for k point: 0.12298321723937988 +elapsed time for k point: 0.2644960880279541 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46819,7 +46830,7 @@ iteration 17: trace = 4.325994457593165 (2.52944e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 -elapsed time for k point: 0.06391549110412598 +elapsed time for k point: 0.09080719947814941 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46856,7 +46867,7 @@ iteration 16: trace = 4.298080976434063 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 -elapsed time for k point: 0.059859275817871094 +elapsed time for k point: 0.06730008125305176 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46891,7 +46902,7 @@ iteration 15: trace = 4.286087121421343 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 -elapsed time for k point: 0.05807685852050781 +elapsed time for k point: 0.06600499153137207 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46922,7 +46933,7 @@ iteration 13: trace = 4.283886820302826 (6.60968e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 -elapsed time for k point: 0.04913043975830078 +elapsed time for k point: 0.13559794425964355 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46951,7 +46962,7 @@ iteration 12: trace = 4.287889499871684 (9.82448e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 -elapsed time for k point: 0.04618644714355469 +elapsed time for k point: 0.0445404052734375 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46984,7 +46995,7 @@ iteration 14: trace = 4.299904770939231 (1.5843e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 -elapsed time for k point: 0.052271366119384766 +elapsed time for k point: 0.12393927574157715 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47017,7 +47028,7 @@ iteration 14: trace = 4.319879224622893 (9.38781e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 -elapsed time for k point: 0.05370783805847168 +elapsed time for k point: 0.055910587310791016 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47054,7 +47065,7 @@ iteration 16: trace = 4.347482286295499 (5.02571e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 -elapsed time for k point: 0.06404924392700195 +elapsed time for k point: 0.0671694278717041 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47119,7 +47130,7 @@ iteration 28: trace = 4.381215657475528 (1.3096e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 -elapsed time for k point: 0.10438799858093262 +elapsed time for k point: 0.12165641784667969 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47154,7 +47165,7 @@ iteration 15: trace = 4.322737319376866 (1.86153e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 -elapsed time for k point: 0.057720184326171875 +elapsed time for k point: 0.1650373935699463 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47185,7 +47196,7 @@ iteration 13: trace = 4.30085149140595 (6.07146e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 -elapsed time for k point: 0.04971194267272949 +elapsed time for k point: 0.06127595901489258 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47216,7 +47227,7 @@ iteration 13: trace = 4.317112896788794 (5.00757e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 -elapsed time for k point: 0.04837226867675781 +elapsed time for k point: 0.049102067947387695 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47253,7 +47264,7 @@ iteration 16: trace = 4.358297516212387 (8.2535e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 -elapsed time for k point: 0.05860471725463867 +elapsed time for k point: 0.07545351982116699 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -47454,7 +47465,7 @@ iteration 93: trace = 4.3848703591062 (1.54347e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 -elapsed time for k point: 0.2630650997161865 +elapsed time for k point: 0.30898261070251465 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354988 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431458 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261726 at Vector3<0.0, 0.0, 0.0> @@ -47467,7 +47478,7 @@ Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431458), 28.91941652452287% Gap from band 5 (0.7793792212092526) to band 6 (0.7852786984418488), 0.7540916335133131% Gap from band 7 (0.9122560439014189) to band 8 (1.0540350508135103), 14.420958045649535% -total elapsed time for run: 1.2653257846832275 +total elapsed time for run: 1.8515040874481201 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -47511,7 +47522,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0018701553344726562 +elapsed time for initialization: 0.0018818378448486328 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -47713,7 +47724,7 @@ iteration 91: trace = 6.466405545431552 (3.70028e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 -elapsed time for k point: 0.2491626739501953 +elapsed time for k point: 1.198390007019043 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47818,7 +47829,7 @@ iteration 50: trace = 6.367909049127847 (9.15808e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 -elapsed time for k point: 0.1783158779144287 +elapsed time for k point: 0.20349764823913574 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. @@ -47875,7 +47886,7 @@ iteration 26: trace = 6.307408527722556 (7.91663e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 -elapsed time for k point: 0.09373903274536133 +elapsed time for k point: 0.1007235050201416 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47932,7 +47943,7 @@ iteration 26: trace = 6.281971560075125 (8.25125e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 -elapsed time for k point: 0.0935065746307373 +elapsed time for k point: 0.12575173377990723 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47999,7 +48010,7 @@ iteration 31: trace = 6.282671766119807 (5.94459e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 -elapsed time for k point: 0.11096835136413574 +elapsed time for k point: 0.11823606491088867 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48082,7 +48093,7 @@ iteration 39: trace = 6.294405703268611 (7.72979e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 -elapsed time for k point: 0.14029479026794434 +elapsed time for k point: 0.1423017978668213 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48147,7 +48158,7 @@ iteration 30: trace = 6.296467689265774 (7.74559e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 -elapsed time for k point: 0.10756301879882812 +elapsed time for k point: 0.4369986057281494 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48218,7 +48229,7 @@ iteration 33: trace = 6.301845550822877 (4.12952e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 -elapsed time for k point: 0.11813926696777344 +elapsed time for k point: 0.16742944717407227 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48291,7 +48302,7 @@ iteration 34: trace = 6.309184046353364 (7.8975e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 -elapsed time for k point: 0.12146854400634766 +elapsed time for k point: 0.12361836433410645 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48366,7 +48377,7 @@ iteration 35: trace = 6.318322876593963 (6.69966e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 -elapsed time for k point: 0.12491822242736816 +elapsed time for k point: 0.1357414722442627 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48523,7 +48534,7 @@ iteration 72: trace = 6.329316110445689 (8.94308e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 -elapsed time for k point: 0.2557086944580078 +elapsed time for k point: 0.31372833251953125 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48734,7 +48745,7 @@ iteration 101: trace = 6.29859486165409 (6.32722e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 -elapsed time for k point: 0.3663613796234131 +elapsed time for k point: 0.6276748180389404 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48789,7 +48800,7 @@ iteration 25: trace = 6.28260855311304 (8.70845e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 -elapsed time for k point: 0.09309220314025879 +elapsed time for k point: 0.14406085014343262 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48842,7 +48853,7 @@ iteration 24: trace = 6.296830790289763 (6.42067e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 -elapsed time for k point: 0.08979463577270508 +elapsed time for k point: 0.2605292797088623 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48899,7 +48910,7 @@ iteration 26: trace = 6.356049883130337 (5.77395e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 -elapsed time for k point: 0.09563779830932617 +elapsed time for k point: 0.25522565841674805 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -49048,7 +49059,7 @@ iteration 67: trace = 6.466405545350629 (9.26307e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 -.elapsed time for k point: 0.18777203559875488 +.elapsed time for k point: 0.3007066249847412 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972591 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840936 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454928 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513117 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618376 at Vector3<0.0, 0.0, 0.0> @@ -49060,11 +49071,11 @@ Gap from band 3 (0.7880878930618376) to band 4 (0.8161730293674928), 3.5013177610941177% Gap from band 5 (0.9220849425898029) to band 6 (1.016865668391553), 9.776497169649813% Gap from band 7 (1.1593702273707196) to band 8 (1.1636719050364384), 0.370348656678157% -total elapsed time for run: 2.4294588565826416 +total elapsed time for run: 4.658138990402222 done -/tmp/meepj2xd8H/test_honey_rods-0: 3.70s +/tmp/meepaT3ehl/test_honey_rods-0: 6.51s -/tmp/meepj2xd8H/test_line_defect-0 +/tmp/meepaT3ehl/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance @@ -49111,7 +49122,7 @@ Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Vector3<0.5000000000000002, 1.7500000000000004, 0.0> -elapsed time for initialization: 0.014946937561035156 +elapsed time for initialization: 0.019103527069091797 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12 Solving for bands 2 to 7... @@ -49308,7 +49319,7 @@ Finished solving for bands 8 to 12 after 76 iterations. Finished k-point with 39.6667 mean iterations/band. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123 -elapsed time for k point: 1.7915232181549072 +elapsed time for k point: 3.4024791717529297 Fixing e-field (band 1) phase by 1 + -0i; max ampl. = 0 Fixing e-field (band 2) phase by 0.934778 + -0.355231i; max ampl. = 0.36443 Fixing e-field (band 3) phase by 0.41377 + -0.910381i; max ampl. = 0.363694 @@ -49321,18 +49332,18 @@ Fixing e-field (band 10) phase by 0.833535 + -0.552467i; max ampl. = 0.514872 Fixing e-field (band 11) phase by 0.701379 + -0.712788i; max ampl. = 0.525048 Fixing e-field (band 12) phase by -0.711256 + 0.702933i; max ampl. = 0.596428 -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k01.b01.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k01.b02.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k01.b03.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k01.b04.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k01.b05.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k01.b06.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k01.b07.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k01.b08.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k01.b09.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k01.b10.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k01.b11.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k01.b12.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k01.b01.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k01.b02.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k01.b03.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k01.b04.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k01.b05.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k01.b06.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k01.b07.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k01.b08.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k01.b09.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k01.b10.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k01.b11.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k01.b12.z.tm.h5... solve_kpoint (0.1,0.35,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. @@ -49430,7 +49441,7 @@ Finished solving for bands 7 to 12 after 37 iterations. Finished k-point with 22.5 mean iterations/band. tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413 -elapsed time for k point: 1.1120941638946533 +elapsed time for k point: 1.5998809337615967 Fixing e-field (band 1) phase by -1 + 2.71662e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.0662269 + 0.997805i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08243e-07i; max ampl. = 0.357513 @@ -49443,18 +49454,18 @@ Fixing e-field (band 10) phase by 1 + 8.06373e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03311e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314767 + -1i; max ampl. = 0.377816 -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k02.b01.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k02.b02.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k02.b03.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k02.b04.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k02.b05.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k02.b06.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k02.b07.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k02.b08.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k02.b09.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k02.b10.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k02.b11.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k02.b12.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k02.b01.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k02.b02.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k02.b03.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k02.b04.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k02.b05.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k02.b06.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k02.b07.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k02.b08.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k02.b09.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k02.b10.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k02.b11.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. @@ -49544,7 +49555,7 @@ Finished solving for bands 7 to 12 after 32 iterations. Finished k-point with 20 mean iterations/band. tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423 -elapsed time for k point: 0.9592444896697998 +elapsed time for k point: 1.2761650085449219 Fixing e-field (band 1) phase by 1 + -6.65617e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 6.78641e-12 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.04398e-14i; max ampl. = 0.3761 @@ -49557,18 +49568,18 @@ Fixing e-field (band 10) phase by -1 + 3.8366e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.81344e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.96432e-06 + -1i; max ampl. = 0.473136 -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k03.b01.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k03.b02.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k03.b03.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k03.b04.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k03.b05.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k03.b06.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k03.b07.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k03.b08.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k03.b09.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k03.b10.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k03.b11.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k03.b12.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k03.b01.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k03.b02.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k03.b03.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k03.b04.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k03.b05.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k03.b06.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k03.b07.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k03.b08.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k03.b09.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k03.b10.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k03.b11.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k03.b12.z.tm.h5... solve_kpoint (0.3,1.05,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. @@ -49790,7 +49801,7 @@ Finished solving for bands 7 to 12 after 95 iterations. Finished k-point with 51.5 mean iterations/band. tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567 -elapsed time for k point: 2.4883816242218018 +elapsed time for k point: 3.5089023113250732 Fixing e-field (band 1) phase by 1 + -2.72416e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -1.83705e-11 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -3.46211e-16i; max ampl. = 0.420136 @@ -49803,18 +49814,18 @@ Fixing e-field (band 10) phase by 1 + -1.34814e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -5.47238e-11 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -6.896e-11i; max ampl. = 0.423458 -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k04.b01.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k04.b02.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k04.b03.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k04.b04.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k04.b05.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k04.b06.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k04.b07.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k04.b08.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k04.b09.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k04.b10.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k04.b11.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k04.b12.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k04.b01.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k04.b02.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k04.b03.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k04.b04.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k04.b05.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k04.b06.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k04.b07.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k04.b08.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k04.b09.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k04.b10.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k04.b11.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. @@ -49976,7 +49987,7 @@ Finished solving for bands 7 to 12 after 67 iterations. Finished k-point with 38 mean iterations/band. tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447 -elapsed time for k point: 1.8601431846618652 +elapsed time for k point: 2.3033313751220703 Fixing e-field (band 1) phase by 1 + -9.69749e-17i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -6.32811e-12 + 1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by -1 + -4.58358e-16i; max ampl. = 0.464954 @@ -49989,18 +50000,18 @@ Fixing e-field (band 10) phase by 2.15222e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + 1.55569e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by -5.02433e-14 + -1i; max ampl. = 0.443866 -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k05.b01.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k05.b02.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k05.b03.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k05.b04.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k05.b05.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k05.b06.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k05.b07.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k05.b08.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k05.b09.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k05.b10.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k05.b11.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k05.b12.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k05.b01.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k05.b02.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k05.b03.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k05.b04.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k05.b05.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k05.b06.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k05.b07.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k05.b08.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k05.b09.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k05.b10.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k05.b11.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k05.b12.z.tm.h5... solve_kpoint (0.5,1.75,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. @@ -50056,7 +50067,7 @@ Finished solving for bands 7 to 12 after 15 iterations. Finished k-point with 12 mean iterations/band. tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569 -elapsed time for k point: 0.5630850791931152 +elapsed time for k point: 0.6227641105651855 Fixing e-field (band 1) phase by 1 + -1.74815e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.28432e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by -1 + -4.06835e-16i; max ampl. = 0.462198 @@ -50069,18 +50080,18 @@ Fixing e-field (band 10) phase by -9.38422e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + 4.53592e-16i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 5.92032e-13 + 1i; max ampl. = 0.465525 -..Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k06.b01.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k06.b02.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k06.b03.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k06.b04.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k06.b05.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k06.b06.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k06.b07.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k06.b08.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k06.b09.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k06.b10.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k06.b11.z.tm.h5... -Outputting fields to /tmp/meepj2xd8H/test_line_defect-0-e.k06.b12.z.tm.h5... +..Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k06.b01.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k06.b02.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k06.b03.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k06.b04.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k06.b05.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k06.b06.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k06.b07.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k06.b08.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k06.b09.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k06.b10.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k06.b11.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.25635010535444464 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542104 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278243 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616923925 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> @@ -50095,15 +50106,15 @@ Band 12 range: 0.46569046397212355 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661457 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.3373371031125568), 21.874512652721958% Gap from band 7 (0.44249766491694126) to band 8 (0.44826277655382385), 1.294424711399087% -total elapsed time for run: 9.051610946655273 +total elapsed time for run: 13.067753314971924 done -/tmp/meepj2xd8H/test_line_defect-0: 9.06s +/tmp/meepaT3ehl/test_line_defect-0: 13.08s -/tmp/meepj2xd8H/test_list_split-0 +/tmp/meepaT3ehl/test_list_split-0 ======================== -/tmp/meepj2xd8H/test_list_split-0: 0.00s +/tmp/meepaT3ehl/test_list_split-0: 0.00s -/tmp/meepj2xd8H/test_load_and_save_eigenvectors-0 +/tmp/meepaT3ehl/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -50146,7 +50157,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016679763793945312 +elapsed time for initialization: 0.0016148090362548828 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -50257,7 +50268,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.16243577003479004 +elapsed time for k point: 0.2309577465057373 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50508,7 +50519,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.44760560989379883 +elapsed time for k point: 0.44859910011291504 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50565,7 +50576,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09696292877197266 +elapsed time for k point: 0.15834784507751465 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50618,7 +50629,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08749961853027344 +elapsed time for k point: 0.10475420951843262 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50679,7 +50690,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.1105504035949707 +elapsed time for k point: 0.28028368949890137 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50772,7 +50783,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.16033482551574707 +elapsed time for k point: 0.18540120124816895 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50843,7 +50854,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11847639083862305 +elapsed time for k point: 0.1409592628479004 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50904,7 +50915,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10129022598266602 +elapsed time for k point: 0.16091203689575195 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50957,7 +50968,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.2700648307800293 +elapsed time for k point: 0.10659050941467285 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51009,7 +51020,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08380866050720215 +elapsed time for k point: 0.13727903366088867 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51061,7 +51072,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.2460033893585205 +elapsed time for k point: 0.1325993537902832 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51102,7 +51113,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06612849235534668 +elapsed time for k point: 0.08097624778747559 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51149,7 +51160,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07632875442504883 +elapsed time for k point: 0.09072566032409668 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51212,7 +51223,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.2938854694366455 +elapsed time for k point: 0.13143277168273926 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51285,7 +51296,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.392009973526001 +elapsed time for k point: 0.1225433349609375 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -51480,7 +51491,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.5967531204223633 +elapsed time for k point: 0.3433825969696045 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -51492,7 +51503,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 3.3130340576171875 +total elapsed time for run: 2.8588836193084717 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -51534,7 +51545,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016722679138183594 +elapsed time for initialization: 0.0016553401947021484 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -51645,7 +51656,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.259906530380249 +elapsed time for k point: 0.14468598365783691 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -51896,7 +51907,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.8022818565368652 +elapsed time for k point: 0.4705080986022949 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51953,7 +51964,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.10609555244445801 +elapsed time for k point: 0.09466910362243652 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52006,7 +52017,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.3698747158050537 +elapsed time for k point: 0.08802127838134766 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52067,7 +52078,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.28560423851013184 +elapsed time for k point: 0.11790037155151367 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52160,7 +52171,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.24889445304870605 +elapsed time for k point: 0.3458678722381592 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -52231,7 +52242,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.14462852478027344 +elapsed time for k point: 0.1340959072113037 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52292,7 +52303,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.101043701171875 +elapsed time for k point: 0.10318493843078613 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52345,7 +52356,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.4095757007598877 +elapsed time for k point: 0.09180116653442383 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52397,7 +52408,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08340859413146973 +elapsed time for k point: 0.13987183570861816 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52449,7 +52460,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.21690845489501953 +elapsed time for k point: 0.10501360893249512 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52490,7 +52501,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.2938854694366455 +elapsed time for k point: 0.07449173927307129 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52537,7 +52548,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07612371444702148 +elapsed time for k point: 0.08039426803588867 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52600,7 +52611,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.46932148933410645 +elapsed time for k point: 0.12029886245727539 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52673,7 +52684,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.32574939727783203 +elapsed time for k point: 0.12552666664123535 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -52868,7 +52879,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.44443273544311523 +.elapsed time for k point: 0.27917981147766113 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -52880,11 +52891,11 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 4.640600204467773 +total elapsed time for run: 2.5186123847961426 done -/tmp/meepj2xd8H/test_load_and_save_eigenvectors-0: 7.96s +/tmp/meepaT3ehl/test_load_and_save_eigenvectors-0: 5.38s -/tmp/meepj2xd8H/test_maximize_first_tm_gap-0 +/tmp/meepaT3ehl/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -52927,7 +52938,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0011937618255615234 +elapsed time for initialization: 0.0011560916900634766 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... @@ -52966,7 +52977,7 @@ iteration 16: trace = 0.2090835261705099 (4.52806e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 -elapsed time for k point: 0.00445866584777832 +elapsed time for k point: 0.004512786865234375 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -53033,7 +53044,7 @@ iteration 30: trace = 0.2014046501599139 (1.93347e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 -elapsed time for k point: 0.015038013458251953 +elapsed time for k point: 0.04215049743652344 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53056,7 +53067,7 @@ iteration 9: trace = 0.1879007300173177 (4.35018e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 -elapsed time for k point: 0.0047190189361572266 +elapsed time for k point: 0.004731416702270508 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53079,7 +53090,7 @@ iteration 9: trace = 0.1768571842568802 (4.04899e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 -elapsed time for k point: 0.004717588424682617 +elapsed time for k point: 0.004697561264038086 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53100,7 +53111,7 @@ iteration 8: trace = 0.170163043677122 (4.09247e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 -elapsed time for k point: 0.004242658615112305 +elapsed time for k point: 0.00428318977355957 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53121,7 +53132,7 @@ iteration 8: trace = 0.1679542017748686 (3.77942e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 -elapsed time for k point: 0.0042345523834228516 +elapsed time for k point: 0.012908697128295898 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. @@ -53142,7 +53153,7 @@ iteration 8: trace = 0.1727422479677606 (9.46383e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 -elapsed time for k point: 0.004236459732055664 +elapsed time for k point: 0.026247024536132812 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53163,7 +53174,7 @@ iteration 8: trace = 0.1859937688378513 (2.16829e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 -elapsed time for k point: 0.004255056381225586 +elapsed time for k point: 0.0043182373046875 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53184,7 +53195,7 @@ iteration 8: trace = 0.2041420413289724 (7.57581e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 -elapsed time for k point: 0.004225492477416992 +elapsed time for k point: 0.004218578338623047 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -53207,7 +53218,7 @@ iteration 9: trace = 0.2207583578967242 (6.00981e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 -elapsed time for k point: 0.004706382751464844 +elapsed time for k point: 0.00738215446472168 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53230,7 +53241,7 @@ iteration 9: trace = 0.2277122843842428 (1.05799e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 -elapsed time for k point: 0.004710674285888672 +elapsed time for k point: 0.004752635955810547 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53272,7 +53283,7 @@ iteration 17: trace = 0.2194624955004418 (3.56774e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 -elapsed time for k point: 0.008556604385375977 +elapsed time for k point: 0.014227151870727539 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53295,7 +53306,7 @@ iteration 9: trace = 0.2042021396245495 (5.38251e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 -elapsed time for k point: 0.004721164703369141 +elapsed time for k point: 0.007044792175292969 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53318,7 +53329,7 @@ iteration 9: trace = 0.1959313854307186 (4.13646e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 -elapsed time for k point: 0.004718303680419922 +elapsed time for k point: 0.004903078079223633 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -53343,7 +53354,7 @@ iteration 10: trace = 0.2007748484301815 (1.08658e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 -elapsed time for k point: 0.0052356719970703125 +elapsed time for k point: 0.010149002075195312 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. @@ -53372,11 +53383,11 @@ iteration 12: trace = 0.2090835122571492 (3.45412e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 -elapsed time for k point: 0.0032720565795898438 +elapsed time for k point: 0.003284931182861328 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992221993 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.3512008353051182 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897041 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992221993) to band 2 (0.3512008353051182), 34.0440425571629% -total elapsed time for run: 0.08754205703735352 +total elapsed time for run: 0.16170549392700195 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53418,7 +53429,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0015761852264404297 +elapsed time for initialization: 0.0015671253204345703 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... @@ -53459,7 +53470,7 @@ iteration 17: trace = 0.1326529296620272 (9.96166e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 -elapsed time for k point: 0.0046689510345458984 +elapsed time for k point: 0.004739999771118164 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -53519,7 +53530,7 @@ iteration 27: trace = 0.1274079622121579 (4.272e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 -elapsed time for k point: 0.013499021530151367 +elapsed time for k point: 0.018191814422607422 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53542,7 +53553,7 @@ iteration 9: trace = 0.1169623869301468 (5.35594e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 -elapsed time for k point: 0.004752159118652344 +elapsed time for k point: 0.004784584045410156 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53565,7 +53576,7 @@ iteration 9: trace = 0.1074794489925547 (2.82774e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 -elapsed time for k point: 0.0047092437744140625 +elapsed time for k point: 0.0047113895416259766 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53586,7 +53597,7 @@ iteration 8: trace = 0.1013401281478576 (3.11955e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 -elapsed time for k point: 0.004235267639160156 +elapsed time for k point: 0.004308938980102539 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53607,7 +53618,7 @@ iteration 8: trace = 0.09924540234965111 (1.03896e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 -elapsed time for k point: 0.004226207733154297 +elapsed time for k point: 0.004252195358276367 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53628,7 +53639,7 @@ iteration 8: trace = 0.1023441112106413 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 -elapsed time for k point: 0.004235029220581055 +elapsed time for k point: 0.0048983097076416016 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53649,7 +53660,7 @@ iteration 8: trace = 0.111100487504477 (9.10609e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 -elapsed time for k point: 0.0042726993560791016 +elapsed time for k point: 0.004263877868652344 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53670,7 +53681,7 @@ iteration 8: trace = 0.1236552584709827 (3.22997e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 -elapsed time for k point: 0.0042188167572021484 +elapsed time for k point: 0.0043294429779052734 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53693,7 +53704,7 @@ iteration 9: trace = 0.1360211172747792 (1.04475e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 -elapsed time for k point: 0.00472712516784668 +elapsed time for k point: 0.0047130584716796875 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53716,7 +53727,7 @@ iteration 9: trace = 0.1415827248187514 (3.31304e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 -elapsed time for k point: 0.004702329635620117 +elapsed time for k point: 0.004714488983154297 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53766,7 +53777,7 @@ iteration 21: trace = 0.1366069801386999 (1.81235e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 -elapsed time for k point: 0.010490179061889648 +elapsed time for k point: 0.010531425476074219 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53789,7 +53800,7 @@ iteration 9: trace = 0.1283044775563506 (4.1686e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 -elapsed time for k point: 0.004754304885864258 +elapsed time for k point: 0.004779815673828125 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53812,7 +53823,7 @@ iteration 9: trace = 0.125065286647159 (9.21004e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 -elapsed time for k point: 0.0047113895416259766 +elapsed time for k point: 0.004762887954711914 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53835,7 +53846,7 @@ iteration 9: trace = 0.1287431504622698 (9.99038e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 -elapsed time for k point: 0.004721641540527344 +elapsed time for k point: 0.0047605037689208984 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. @@ -53866,11 +53877,11 @@ iteration 13: trace = 0.1326529452608121 (4.34162e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 -elapsed time for k point: 0.0035288333892822266 +elapsed time for k point: 0.0035500526428222656 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21862256910517538 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474894 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458691 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21862256910517538) to band 2 (0.25999614437474894), 17.288741164655264% -total elapsed time for run: 0.08833098411560059 +total elapsed time for run: 0.09455251693725586 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53912,7 +53923,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0011413097381591797 +elapsed time for initialization: 0.0011217594146728516 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... @@ -53959,7 +53970,7 @@ iteration 20: trace = 0.2982519551490028 (5.19652e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 -elapsed time for k point: 0.0054323673248291016 +elapsed time for k point: 0.00556182861328125 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53996,7 +54007,7 @@ iteration 16: trace = 0.2795911378478675 (6.11119e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 -elapsed time for k point: 0.008167505264282227 +elapsed time for k point: 0.008525609970092773 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54021,7 +54032,7 @@ iteration 10: trace = 0.2611842409470009 (6.08279e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 -elapsed time for k point: 0.005188703536987305 +elapsed time for k point: 0.0053234100341796875 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54044,7 +54055,7 @@ iteration 9: trace = 0.2490993774400128 (1.40394e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 -elapsed time for k point: 0.004746675491333008 +elapsed time for k point: 0.004779338836669922 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54065,7 +54076,7 @@ iteration 8: trace = 0.242445714489984 (6.61933e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 -elapsed time for k point: 0.0042459964752197266 +elapsed time for k point: 0.004235506057739258 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -54086,7 +54097,7 @@ iteration 8: trace = 0.2403442724329473 (2.85473e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 -elapsed time for k point: 0.004230022430419922 +elapsed time for k point: 0.004241466522216797 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54107,7 +54118,7 @@ iteration 8: trace = 0.2478135698278215 (2.66564e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 -elapsed time for k point: 0.004248619079589844 +elapsed time for k point: 0.004304170608520508 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54128,7 +54139,7 @@ iteration 8: trace = 0.2687921840070472 (1.5138e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 -elapsed time for k point: 0.0042285919189453125 +elapsed time for k point: 0.004273414611816406 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54149,7 +54160,7 @@ iteration 8: trace = 0.2984106619036122 (7.5581e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 -elapsed time for k point: 0.004264116287231445 +elapsed time for k point: 0.0042536258697509766 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -54172,7 +54183,7 @@ iteration 9: trace = 0.3267691033102512 (4.28095e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 -elapsed time for k point: 0.004728078842163086 +elapsed time for k point: 0.006844282150268555 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54195,7 +54206,7 @@ iteration 9: trace = 0.3391341088633693 (2.86121e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 -elapsed time for k point: 0.0047075748443603516 +elapsed time for k point: 0.004805326461791992 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54234,7 +54245,7 @@ iteration 17: trace = 0.3215197827688707 (6.91127e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 -elapsed time for k point: 0.008592844009399414 +elapsed time for k point: 0.008563041687011719 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54257,7 +54268,7 @@ iteration 9: trace = 0.2901214013723645 (2.05688e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 -elapsed time for k point: 0.004727602005004883 +elapsed time for k point: 0.004725217819213867 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54282,7 +54293,7 @@ iteration 10: trace = 0.270860725885171 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 -elapsed time for k point: 0.005171537399291992 +elapsed time for k point: 0.005182504653930664 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -54309,7 +54320,7 @@ iteration 11: trace = 0.2750943676881151 (3.41024e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 -elapsed time for k point: 0.00574493408203125 +elapsed time for k point: 0.005763053894042969 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 8 iterations. @@ -54346,11 +54357,11 @@ iteration 16: trace = 0.2982519551492238 (9.21674e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 -elapsed time for k point: 0.004315614700317383 +elapsed time for k point: 0.004323005676269531 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856934 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943935 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610301 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856934) to band 2 (0.42411505161943935), 39.10008554562127% -total elapsed time for run: 0.08418130874633789 +total elapsed time for run: 0.08753752708435059 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -54392,7 +54403,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0011744499206542969 +elapsed time for initialization: 0.0011937618255615234 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... @@ -54427,7 +54438,7 @@ iteration 14: trace = 0.3025956959406486 (2.01428e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 -elapsed time for k point: 0.0038967132568359375 +elapsed time for k point: 0.005156278610229492 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54452,7 +54463,7 @@ iteration 10: trace = 0.3009297177018313 (7.17386e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 -elapsed time for k point: 0.005251169204711914 +elapsed time for k point: 0.005345821380615234 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -54477,7 +54488,7 @@ iteration 10: trace = 0.2969598361818406 (3.31617e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 -elapsed time for k point: 0.005239248275756836 +elapsed time for k point: 0.006353616714477539 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -54502,7 +54513,7 @@ iteration 10: trace = 0.2926449175807005 (3.60407e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 -elapsed time for k point: 0.005201101303100586 +elapsed time for k point: 0.0063326358795166016 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54525,7 +54536,7 @@ iteration 9: trace = 0.2895143959121311 (5.52208e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 -elapsed time for k point: 0.0046977996826171875 +elapsed time for k point: 0.004752159118652344 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54546,7 +54557,7 @@ iteration 8: trace = 0.2883886767737717 (2.7006e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 -elapsed time for k point: 0.00422978401184082 +elapsed time for k point: 0.004226207733154297 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54567,7 +54578,7 @@ iteration 8: trace = 0.2982086196943479 (6.96196e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 -elapsed time for k point: 0.004252195358276367 +elapsed time for k point: 0.004254817962646484 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54588,7 +54599,7 @@ iteration 8: trace = 0.3264979228223411 (2.76112e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 -elapsed time for k point: 0.004231452941894531 +elapsed time for k point: 0.004221677780151367 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54609,7 +54620,7 @@ iteration 8: trace = 0.369066417318031 (8.31916e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 -elapsed time for k point: 0.004222393035888672 +elapsed time for k point: 0.004202604293823242 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54634,7 +54645,7 @@ iteration 10: trace = 0.4155447999210056 (5.90452e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 -elapsed time for k point: 0.00522923469543457 +elapsed time for k point: 0.0052716732025146484 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54659,7 +54670,7 @@ iteration 10: trace = 0.4398182199057517 (3.20583e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 -elapsed time for k point: 0.005186796188354492 +elapsed time for k point: 0.005259990692138672 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54698,7 +54709,7 @@ iteration 17: trace = 0.402475438444692 (8.9237e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 -elapsed time for k point: 0.008566856384277344 +elapsed time for k point: 0.008853912353515625 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54721,7 +54732,7 @@ iteration 9: trace = 0.3476919187043944 (6.05256e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 -elapsed time for k point: 0.0047397613525390625 +elapsed time for k point: 0.004805326461791992 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54746,7 +54757,7 @@ iteration 10: trace = 0.312470185923318 (6.91069e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 -elapsed time for k point: 0.22089266777038574 +elapsed time for k point: 0.005189418792724609 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54771,7 +54782,7 @@ iteration 10: trace = 0.3014386377955973 (5.1913e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 -elapsed time for k point: 0.08050346374511719 +elapsed time for k point: 0.006592512130737305 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. @@ -54800,15 +54811,15 @@ iteration 12: trace = 0.3025956959406542 (2.04547e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 -.elapsed time for k point: 0.0033075809478759766 +.elapsed time for k point: 0.00333404541015625 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232133 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.46151218989969184 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819287 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232133) to band 2 (0.46151218989969184), 36.990024869608234% -total elapsed time for run: 0.37112879753112793 +total elapsed time for run: 0.08602261543273926 done -/tmp/meepj2xd8H/test_maximize_first_tm_gap-0: 0.63s +/tmp/meepaT3ehl/test_maximize_first_tm_gap-0: 0.43s -/tmp/meepj2xd8H/test_multiply_bloch_in_mpb_data-0 +/tmp/meepaT3ehl/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -54851,7 +54862,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016298294067382812 +elapsed time for initialization: 0.0016677379608154297 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -54962,7 +54973,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14307665824890137 +elapsed time for k point: 0.16881322860717773 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55213,7 +55224,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.2182915210723877 +elapsed time for k point: 0.5838329792022705 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55270,7 +55281,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.5343084335327148 +elapsed time for k point: 0.10801959037780762 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55323,7 +55334,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.43706703186035156 +elapsed time for k point: 0.08816957473754883 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55384,7 +55395,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10211014747619629 +elapsed time for k point: 0.1165015697479248 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55477,7 +55488,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15731310844421387 +elapsed time for k point: 0.2514059543609619 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55548,7 +55559,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11856436729431152 +elapsed time for k point: 0.12387418746948242 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55609,7 +55620,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10459423065185547 +elapsed time for k point: 0.10117959976196289 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55662,7 +55673,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08718585968017578 +elapsed time for k point: 0.3329010009765625 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55714,7 +55725,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08371543884277344 +elapsed time for k point: 0.10821962356567383 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55766,7 +55777,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08324766159057617 +elapsed time for k point: 0.09404516220092773 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55807,7 +55818,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06609082221984863 +elapsed time for k point: 0.15300488471984863 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55854,7 +55865,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07651329040527344 +elapsed time for k point: 0.08277034759521484 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55917,7 +55928,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10484671592712402 +elapsed time for k point: 0.11109423637390137 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55990,7 +56001,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12266778945922852 +elapsed time for k point: 0.13166475296020508 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -56185,7 +56196,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2539653778076172 +elapsed time for k point: 0.26508212089538574 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -56197,7 +56208,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 3.696047782897949 +total elapsed time for run: 2.8236804008483887 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -56246,7 +56257,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0017101764678955078 +elapsed time for initialization: 0.0017588138580322266 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -56357,7 +56368,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14348888397216797 +elapsed time for k point: 0.1579113006591797 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56608,7 +56619,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4297823905944824 +elapsed time for k point: 0.4870307445526123 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56665,7 +56676,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.0939476490020752 +elapsed time for k point: 0.10374307632446289 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56718,7 +56729,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08730459213256836 +elapsed time for k point: 0.09604835510253906 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56779,7 +56790,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.1011967658996582 +elapsed time for k point: 0.10504651069641113 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56872,7 +56883,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15747666358947754 +elapsed time for k point: 0.4506111145019531 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56943,7 +56954,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11842966079711914 +elapsed time for k point: 0.12068414688110352 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57004,7 +57015,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.1022496223449707 +elapsed time for k point: 0.12242388725280762 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57057,7 +57068,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08850669860839844 +elapsed time for k point: 0.11076593399047852 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57109,7 +57120,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0866544246673584 +elapsed time for k point: 0.11853861808776855 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57161,7 +57172,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08440566062927246 +elapsed time for k point: 0.09404301643371582 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57202,7 +57213,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06692624092102051 +elapsed time for k point: 0.06634092330932617 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57249,7 +57260,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07945680618286133 +elapsed time for k point: 0.07718610763549805 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57312,7 +57323,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10602569580078125 +elapsed time for k point: 0.1057741641998291 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57385,7 +57396,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12315702438354492 +elapsed time for k point: 0.14000368118286133 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -57580,7 +57591,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.25443029403686523 +elapsed time for k point: 0.3056941032409668 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -57592,7 +57603,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.126368761062622 +total elapsed time for run: 2.6650519371032715 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -57601,9 +57612,9 @@ imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 -./tmp/meepj2xd8H/test_multiply_bloch_in_mpb_data-0: 5.87s +./tmp/meepaT3ehl/test_multiply_bloch_in_mpb_data-0: 5.55s -/tmp/meepj2xd8H/test_multiply_bloch_phase-0 +/tmp/meepaT3ehl/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -57646,7 +57657,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016505718231201172 +elapsed time for initialization: 0.0018317699432373047 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -57757,7 +57768,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14330124855041504 +elapsed time for k point: 0.17166972160339355 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58008,7 +58019,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.430217981338501 +elapsed time for k point: 0.5059084892272949 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58065,7 +58076,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09412384033203125 +elapsed time for k point: 0.13275647163391113 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58118,7 +58129,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08747196197509766 +elapsed time for k point: 0.10283017158508301 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58179,7 +58190,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10153031349182129 +elapsed time for k point: 0.19034504890441895 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58272,7 +58283,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1572432518005371 +elapsed time for k point: 0.1641538143157959 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58343,7 +58354,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11854767799377441 +elapsed time for k point: 0.11845731735229492 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58404,7 +58415,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10108423233032227 +elapsed time for k point: 0.10123109817504883 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58457,7 +58468,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08696150779724121 +elapsed time for k point: 0.08685111999511719 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58509,7 +58520,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08365440368652344 +elapsed time for k point: 0.0841069221496582 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58561,7 +58572,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08335518836975098 +elapsed time for k point: 0.08324384689331055 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58602,7 +58613,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06605887413024902 +elapsed time for k point: 0.06608843803405762 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58649,7 +58660,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07630705833435059 +elapsed time for k point: 0.07643914222717285 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58712,7 +58723,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10535216331481934 +elapsed time for k point: 0.11141467094421387 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58785,7 +58796,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1226050853729248 +elapsed time for k point: 0.12531590461730957 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -58980,7 +58991,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.25438547134399414 +elapsed time for k point: 0.34076786041259766 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -58992,12 +59003,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.114802837371826 +total elapsed time for run: 2.4648218154907227 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 -./tmp/meepj2xd8H/test_multiply_bloch_phase-0: 2.12s +./tmp/meepaT3ehl/test_multiply_bloch_phase-0: 2.47s -/tmp/meepj2xd8H/test_output_charge_density-0 +/tmp/meepaT3ehl/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -59040,7 +59051,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016531944274902344 +elapsed time for initialization: 0.0016226768493652344 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -59151,7 +59162,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14326810836791992 +elapsed time for k point: 0.14934778213500977 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59402,7 +59413,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4300668239593506 +elapsed time for k point: 0.4525742530822754 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59459,7 +59470,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09420061111450195 +elapsed time for k point: 0.10196328163146973 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59512,7 +59523,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08761453628540039 +elapsed time for k point: 0.08986425399780273 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59573,7 +59584,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10154199600219727 +elapsed time for k point: 0.11080265045166016 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59666,7 +59677,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15797805786132812 +elapsed time for k point: 0.16450119018554688 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59737,7 +59748,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11879158020019531 +elapsed time for k point: 0.1221463680267334 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59798,7 +59809,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10151100158691406 +elapsed time for k point: 0.10766816139221191 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59851,7 +59862,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08726644515991211 +elapsed time for k point: 0.0900568962097168 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59903,7 +59914,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08381080627441406 +elapsed time for k point: 0.08425736427307129 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59955,7 +59966,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08346247673034668 +elapsed time for k point: 0.09994769096374512 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59996,7 +60007,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06625986099243164 +elapsed time for k point: 0.08658719062805176 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60043,7 +60054,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07649803161621094 +elapsed time for k point: 0.08406829833984375 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60106,7 +60117,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10466241836547852 +elapsed time for k point: 0.187272310256958 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60179,7 +60190,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12259101867675781 +elapsed time for k point: 0.1356818675994873 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -60374,7 +60385,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2541005611419678 +elapsed time for k point: 0.2813534736633301 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -60386,13 +60397,13 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.1165659427642822 +total elapsed time for run: 2.351116180419922 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 -.Outputting complex scalar field to /tmp/meepj2xd8H/test_output_charge_density-0-C.k16.b08.te.h5... -/tmp/meepj2xd8H/test_output_charge_density-0: 2.12s +.Outputting complex scalar field to /tmp/meepaT3ehl/test_output_charge_density-0-C.k16.b08.te.h5... +/tmp/meepaT3ehl/test_output_charge_density-0: 2.36s -/tmp/meepj2xd8H/test_output_dpwr_in_objects-0 +/tmp/meepaT3ehl/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -60435,7 +60446,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016694068908691406 +elapsed time for initialization: 0.0016295909881591797 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -60546,12 +60557,12 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14325284957885742 +elapsed time for k point: 0.19367122650146484 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102558, 0.8567435000049138 -Outputting fields to /tmp/meepj2xd8H/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... +Outputting fields to /tmp/meepaT3ehl/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069425, 0.5288260557980025 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 @@ -60814,7 +60825,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.5458729267120361 +elapsed time for k point: 0.46187758445739746 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272535, 0.04603176936931879 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 @@ -60887,7 +60898,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09423565864562988 +elapsed time for k point: 0.09917545318603516 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.1786920044640263, 0.05442207262852542 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 @@ -60956,7 +60967,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.0872809886932373 +elapsed time for k point: 0.08881902694702148 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.2657976067157466, 0.07189021130587141 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 @@ -61033,7 +61044,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10120558738708496 +elapsed time for k point: 0.10319113731384277 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452517, 0.10384524472340306 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 @@ -61142,7 +61153,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15707111358642578 +elapsed time for k point: 0.1589953899383545 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654537, 0.08603996686487969 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 @@ -61229,7 +61240,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11846733093261719 +elapsed time for k point: 0.12216019630432129 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.42374146132378676, 0.08405292712340615 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 @@ -61306,7 +61317,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10126018524169922 +elapsed time for k point: 0.13323163986206055 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.45478127251547096, 0.08020083733719105 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 @@ -61375,7 +61386,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08711743354797363 +elapsed time for k point: 0.2946169376373291 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.4737665959361228, 0.5125827722133006 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 @@ -61443,7 +61454,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0837550163269043 +elapsed time for k point: 0.11473393440246582 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371617572 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 @@ -61511,7 +61522,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08348512649536133 +elapsed time for k point: 0.09061646461486816 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.49683586474489916, 0.698636026235475 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 @@ -61568,7 +61579,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.0663154125213623 +elapsed time for k point: 0.06913542747497559 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434166, 0.4184573101716424 D-energy-components:, 12, 2, 0.5, 0.5, 0 @@ -61631,7 +61642,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07677817344665527 +elapsed time for k point: 0.15429925918579102 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290155, 0.12237408338139008 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 @@ -61710,7 +61721,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10491466522216797 +elapsed time for k point: 0.18028998374938965 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988414773 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 @@ -61799,7 +61810,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12245559692382812 +elapsed time for k point: 0.13354921340942383 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469353, 0.047952797705435486 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 @@ -62010,12 +62021,12 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.25388240814208984 +elapsed time for k point: 1.4591712951660156 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101988, 0.8567434642215929 -Outputting fields to /tmp/meepj2xd8H/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... +Outputting fields to /tmp/meepaT3ehl/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069757, 0.5288260828563163 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 @@ -62039,11 +62050,11 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.3036961555480957 +total elapsed time for run: 3.9553351402282715 done -/tmp/meepj2xd8H/test_output_dpwr_in_objects-0: 2.31s +/tmp/meepaT3ehl/test_output_dpwr_in_objects-0: 3.96s -/tmp/meepj2xd8H/test_output_efield_z-0 +/tmp/meepaT3ehl/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62086,7 +62097,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016238689422607422 +elapsed time for initialization: 0.0016467571258544922 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -62222,7 +62233,7 @@ iteration 61: trace = 4.373720851032911 (3.63295e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.16803574562072754 +elapsed time for k point: 0.1845231056213379 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62273,7 +62284,7 @@ iteration 23: trace = 4.290857263081686 (9.13875e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 -elapsed time for k point: 0.08371925354003906 +elapsed time for k point: 0.0937192440032959 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -62304,7 +62315,7 @@ iteration 13: trace = 4.208307958519127 (3.8665e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 -elapsed time for k point: 0.0483708381652832 +elapsed time for k point: 0.05111360549926758 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62335,7 +62346,7 @@ iteration 13: trace = 4.150444015828809 (1.02932e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 -elapsed time for k point: 0.0482172966003418 +elapsed time for k point: 0.05499720573425293 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62366,7 +62377,7 @@ iteration 13: trace = 4.119598598621691 (1.07368e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 -elapsed time for k point: 0.04829668998718262 +elapsed time for k point: 0.05173540115356445 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62397,7 +62408,7 @@ iteration 13: trace = 4.110777242725125 (6.69573e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 -elapsed time for k point: 0.04815983772277832 +elapsed time for k point: 0.05677390098571777 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62426,7 +62437,7 @@ iteration 12: trace = 4.099489964274799 (2.50671e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 -elapsed time for k point: 0.0447998046875 +elapsed time for k point: 0.0488896369934082 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62453,7 +62464,7 @@ iteration 11: trace = 4.07945289580348 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 -elapsed time for k point: 0.04119873046875 +elapsed time for k point: 0.04681897163391113 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62482,7 +62493,7 @@ iteration 12: trace = 4.068759276129137 (1.19188e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 -elapsed time for k point: 0.044676780700683594 +elapsed time for k point: 0.06783175468444824 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62515,7 +62526,7 @@ iteration 14: trace = 4.075526949349669 (2.60644e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 -elapsed time for k point: 0.05183720588684082 +elapsed time for k point: 0.05986356735229492 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62550,7 +62561,7 @@ iteration 15: trace = 4.092150433618242 (9.10284e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 -elapsed time for k point: 0.05541825294494629 +elapsed time for k point: 0.06372427940368652 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62587,7 +62598,7 @@ iteration 16: trace = 4.046652183676479 (2.14217e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 -elapsed time for k point: 0.05891919136047363 +elapsed time for k point: 0.07006669044494629 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62616,7 +62627,7 @@ iteration 12: trace = 4.04451323639685 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 -elapsed time for k point: 0.044679880142211914 +elapsed time for k point: 0.04741168022155762 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62645,7 +62656,7 @@ iteration 12: trace = 4.113415259755486 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 -elapsed time for k point: 0.044594526290893555 +elapsed time for k point: 0.05871915817260742 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62678,7 +62689,7 @@ iteration 14: trace = 4.240749642028247 (2.11324e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 -elapsed time for k point: 0.05166172981262207 +elapsed time for k point: 0.05719423294067383 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -62810,7 +62821,7 @@ iteration 59: trace = 4.373720851594716 (8.84783e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.16259193420410156 +elapsed time for k point: 0.21445918083190918 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> @@ -62821,13 +62832,13 @@ Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% -total elapsed time for run: 1.0475399494171143 +total elapsed time for run: 1.2308883666992188 done Fixing e-field (band 8) phase by 2.45827e-08 + -1i; max ampl. = 1.49941 -.Outputting fields to /tmp/meepj2xd8H/test_output_efield_z-0-e.k16.b08.z.tm.h5... -/tmp/meepj2xd8H/test_output_efield_z-0: 1.05s +.Outputting fields to /tmp/meepaT3ehl/test_output_efield_z-0-e.k16.b08.z.tm.h5... +/tmp/meepaT3ehl/test_output_efield_z-0: 1.24s -/tmp/meepj2xd8H/test_output_field_to_file-0 +/tmp/meepaT3ehl/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62870,7 +62881,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.001706838607788086 +elapsed time for initialization: 0.0016326904296875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -62981,7 +62992,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1432478427886963 +elapsed time for k point: 0.4015793800354004 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63232,7 +63243,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4297811985015869 +elapsed time for k point: 0.4485890865325928 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63289,7 +63300,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.094940185546875 +elapsed time for k point: 0.09928703308105469 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63342,7 +63353,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08724451065063477 +elapsed time for k point: 0.09191775321960449 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63403,7 +63414,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.1010434627532959 +elapsed time for k point: 0.10445928573608398 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63496,7 +63507,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15734028816223145 +elapsed time for k point: 0.16154837608337402 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63567,7 +63578,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11857151985168457 +elapsed time for k point: 0.12027311325073242 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63628,7 +63639,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10130906105041504 +elapsed time for k point: 0.1083686351776123 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63681,7 +63692,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08710145950317383 +elapsed time for k point: 0.08702778816223145 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63733,7 +63744,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0840463638305664 +elapsed time for k point: 0.08428049087524414 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63785,7 +63796,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08727455139160156 +elapsed time for k point: 0.08331751823425293 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63826,7 +63837,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.08560562133789062 +elapsed time for k point: 0.06809711456298828 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63873,7 +63884,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07665610313415527 +elapsed time for k point: 0.07743167877197266 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63936,7 +63947,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10822486877441406 +elapsed time for k point: 0.11339116096496582 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64009,7 +64020,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12389254570007324 +elapsed time for k point: 0.12452936172485352 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -64204,7 +64215,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.25447630882263184 +elapsed time for k point: 0.3759756088256836 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -64216,13 +64227,13 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.1439149379730225 +total elapsed time for run: 2.553083896636963 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepj2xd8H/test_output_field_to_file-0-epsilon.h5... -/tmp/meepj2xd8H/test_output_field_to_file-0: 2.16s +.Outputting /tmp/meepaT3ehl/test_output_field_to_file-0-epsilon.h5... +/tmp/meepaT3ehl/test_output_field_to_file-0: 2.57s -/tmp/meepj2xd8H/test_output_tot_pwr-0 +/tmp/meepaT3ehl/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -64265,7 +64276,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0017125606536865234 +elapsed time for initialization: 0.0016665458679199219 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -64376,7 +64387,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.15008878707885742 +elapsed time for k point: 0.15285921096801758 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64627,7 +64638,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.43260741233825684 +elapsed time for k point: 0.4429311752319336 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64684,7 +64695,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09447360038757324 +elapsed time for k point: 0.09644651412963867 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64737,7 +64748,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08754396438598633 +elapsed time for k point: 0.09033393859863281 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64798,7 +64809,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10126614570617676 +elapsed time for k point: 0.10336589813232422 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64891,7 +64902,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15762543678283691 +elapsed time for k point: 0.1619415283203125 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64962,7 +64973,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.1194448471069336 +elapsed time for k point: 0.119903564453125 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65023,7 +65034,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10205364227294922 +elapsed time for k point: 0.16972732543945312 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65076,7 +65087,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08741927146911621 +elapsed time for k point: 0.08696937561035156 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65128,7 +65139,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08377194404602051 +elapsed time for k point: 0.08486127853393555 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65180,7 +65191,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08330798149108887 +elapsed time for k point: 0.0829007625579834 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65221,7 +65232,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06621479988098145 +elapsed time for k point: 0.06597352027893066 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65268,7 +65279,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07635927200317383 +elapsed time for k point: 0.07639575004577637 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65331,7 +65342,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10479879379272461 +elapsed time for k point: 0.10593128204345703 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65404,7 +65415,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12247419357299805 +elapsed time for k point: 0.12933731079101562 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -65599,7 +65610,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.25365352630615234 +elapsed time for k point: 0.25812625885009766 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -65611,16 +65622,16 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.1262311935424805 +total elapsed time for run: 2.2310845851898193 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 -Outputting /tmp/meepj2xd8H/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... +Outputting /tmp/meepaT3ehl/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 -./tmp/meepj2xd8H/test_output_tot_pwr-0: 2.13s +./tmp/meepaT3ehl/test_output_tot_pwr-0: 2.24s -/tmp/meepj2xd8H/test_point_defect_state-0 +/tmp/meepaT3ehl/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance @@ -65698,7 +65709,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.036217689514160156 +elapsed time for initialization: 0.03581118583679199 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50 Solving for bands 1 to 10... @@ -66412,133 +66423,79 @@ linmin: converged after 6 iterations. iteration 5: trace = 2.527777768730765 (2.80241% change) linmin: converged after 6 iterations. + switching to approximate line minimization (decrease time by 97.3871%) iteration 6: trace = 2.486971986894361 (1.62743% change) - linmin: converged after 5 iterations. - iteration 7: trace = 2.468814644263359 (0.732773% change) - linmin: converged after 7 iterations. - iteration 8: trace = 2.458530008747287 (0.417451% change) - linmin: converged after 5 iterations. - iteration 9: trace = 2.452010604792638 (0.265527% change) - linmin: converged after 5 iterations. - iteration 10: trace = 2.446951935961674 (0.20652% change) - linmin: converged after 5 iterations. - iteration 11: trace = 2.443000264878866 (0.161624% change) - linmin: converged after 4 iterations. - iteration 12: trace = 2.440801958902615 (0.0900244% change) - linmin: converged after 4 iterations. - iteration 13: trace = 2.439651917245068 (0.0471285% change) - linmin: converged after 5 iterations. - iteration 14: trace = 2.438794386046162 (0.0351559% change) - linmin: converged after 5 iterations. - iteration 15: trace = 2.438022815245383 (0.0316424% change) - linmin: converged after 5 iterations. - iteration 16: trace = 2.437314214162286 (0.0290688% change) - linmin: converged after 5 iterations. - iteration 17: trace = 2.436427434786529 (0.0363901% change) - linmin: converged after 5 iterations. - iteration 18: trace = 2.435606064883372 (0.0337177% change) - linmin: converged after 5 iterations. - iteration 19: trace = 2.435080522313934 (0.0215798% change) - linmin: converged after 5 iterations. - iteration 20: trace = 2.434730903992929 (0.0143586% change) - linmin: converged after 5 iterations. - iteration 21: trace = 2.434515489420207 (0.00884796% change) - linmin: converged after 4 iterations. - iteration 22: trace = 2.43439015648767 (0.0051483% change) - linmin: converged after 4 iterations. - iteration 23: trace = 2.43428994212513 (0.0041167% change) - linmin: converged after 4 iterations. - iteration 24: trace = 2.434215166715971 (0.0030718% change) - linmin: converged after 4 iterations. - iteration 25: trace = 2.43415114845797 (0.00262997% change) - linmin: converged after 4 iterations. - iteration 26: trace = 2.434099388359072 (0.00212644% change) - linmin: converged after 4 iterations. - iteration 27: trace = 2.434069520683534 (0.00122706% change) - linmin: converged after 4 iterations. - iteration 28: trace = 2.434051894177866 (0.00072416% change) - linmin: converged after 6 iterations. - iteration 29: trace = 2.434040920660008 (0.000450834% change) - linmin: converged after 6 iterations. - iteration 30: trace = 2.434034872116067 (0.000248498% change) - linmin: converged after 5 iterations. - iteration 31: trace = 2.434031134496718 (0.000153557% change) - linmin: converged after 5 iterations. - iteration 32: trace = 2.434028967612021 (8.90246e-05% change) - linmin: converged after 5 iterations. - iteration 33: trace = 2.434027725302496 (5.10392e-05% change) - linmin: converged after 5 iterations. - iteration 34: trace = 2.43402688652064 (3.44607e-05% change) - linmin: converged after 5 iterations. - iteration 35: trace = 2.434026138650661 (3.07256e-05% change) - linmin: converged after 5 iterations. - iteration 36: trace = 2.434025450920533 (2.82548e-05% change) - linmin: converged after 5 iterations. - iteration 37: trace = 2.434024951043302 (2.05371e-05% change) - linmin: converged after 5 iterations. - iteration 38: trace = 2.434024674066367 (1.13794e-05% change) - linmin: converged after 11 iterations. - iteration 39: trace = 2.434024546234764 (5.25186e-06% change) - linmin: converged after 4 iterations. - iteration 40: trace = 2.434024472708239 (3.02078e-06% change) - linmin: converged after 16 iterations. - iteration 41: trace = 2.434024422641628 (2.05695e-06% change) - linmin: converged after 5 iterations. - iteration 42: trace = 2.434024388298194 (1.41097e-06% change) - linmin: converged after 10 iterations. - iteration 43: trace = 2.434024363245127 (1.02929e-06% change) - linmin: converged after 2 iterations. - iteration 44: trace = 2.434024345052513 (7.47429e-07% change) - linmin: converged after 2 iterations. - iteration 45: trace = 2.434024334362809 (4.39178e-07% change) - linmin: converged after 2 iterations. - iteration 46: trace = 2.434024326947982 (3.04632e-07% change) - linmin: converged after 2 iterations. - iteration 47: trace = 2.434024320899082 (2.48514e-07% change) - linmin: converged after 3 iterations. - iteration 48: trace = 2.434024317216461 (1.51298e-07% change) - linmin: converged after 2 iterations. - iteration 49: trace = 2.434024315166989 (8.4201e-08% change) - linmin: converged after 2 iterations. - iteration 50: trace = 2.434024314138627 (4.22495e-08% change) - linmin: converged after 3 iterations. - iteration 51: trace = 2.434024313589964 (2.25414e-08% change) - linmin: converged after 3 iterations. - iteration 52: trace = 2.434024313234834 (1.45902e-08% change) - linmin: converged after 3 iterations. - iteration 53: trace = 2.434024312971761 (1.08082e-08% change) - linmin: converged after 5 iterations. - iteration 54: trace = 2.434024312719699 (1.03558e-08% change) - linmin: converged after 2 iterations. - iteration 55: trace = 2.434024312512227 (8.5238e-09% change) - linmin: converged after 2 iterations. - iteration 56: trace = 2.434024312381284 (5.3797e-09% change) - linmin: converged after 4 iterations. - iteration 57: trace = 2.434024312305171 (3.12702e-09% change) - linmin: converged after 3 iterations. - iteration 58: trace = 2.434024312262395 (1.75746e-09% change) - linmin: converged after 3 iterations. - iteration 59: trace = 2.434024312237022 (1.04241e-09% change) - linmin: converged after 4 iterations. - iteration 60: trace = 2.434024312222581 (5.93293e-10% change) - linmin: converged after 3 iterations. - iteration 61: trace = 2.434024312214297 (3.40325e-10% change) - linmin: converged after 3 iterations. - iteration 62: trace = 2.434024312207981 (2.59518e-10% change) - linmin: converged after 3 iterations. - iteration 63: trace = 2.434024312203503 (1.83983e-10% change) - linmin: converged after 3 iterations. - iteration 64: trace = 2.434024312200226 (1.3463e-10% change) - linmin: converged after 3 iterations. - iteration 65: trace = 2.43402431219786 (9.72097e-11% change) -Finished solving for bands 41 to 50 after 65 iterations. -Finished k-point with 79.8 mean iterations/band. + iteration 7: trace = 2.470052019045839 (0.682666% change) + iteration 8: trace = 2.458548788736531 (0.466795% change) + iteration 9: trace = 2.451978160794946 (0.267614% change) + iteration 10: trace = 2.447111126260488 (0.198691% change) + iteration 11: trace = 2.443317935534525 (0.155127% change) + iteration 12: trace = 2.440944980273207 (0.0971674% change) + iteration 13: trace = 2.439674269709239 (0.0520717% change) + iteration 14: trace = 2.438819019192584 (0.0350621% change) + iteration 15: trace = 2.438058744508014 (0.0311787% change) + iteration 16: trace = 2.437368836863558 (0.0283014% change) + iteration 17: trace = 2.436488552599306 (0.0361227% change) + iteration 18: trace = 2.435639791098031 (0.0348415% change) + iteration 19: trace = 2.435129936599064 (0.0209353% change) + iteration 20: trace = 2.434756047151739 (0.0153552% change) + iteration 21: trace = 2.434533821506388 (0.00912764% change) + iteration 22: trace = 2.434409961075661 (0.00508777% change) + iteration 23: trace = 2.434308040429534 (0.00418675% change) + iteration 24: trace = 2.43422785072891 (0.0032942% change) + iteration 25: trace = 2.434161789160859 (0.0027139% change) + iteration 26: trace = 2.434109631735717 (0.00214275% change) + iteration 27: trace = 2.434076219152388 (0.00137269% change) + iteration 28: trace = 2.434056763479559 (0.000799307% change) + iteration 29: trace = 2.434044634961418 (0.000498285% change) + iteration 30: trace = 2.434037951976725 (0.000274563% change) + iteration 31: trace = 2.434033713955511 (0.000174115% change) + iteration 32: trace = 2.434030972158754 (0.000112644% change) + iteration 33: trace = 2.434029309123519 (6.83243e-05% change) + iteration 34: trace = 2.434028221349734 (4.46903e-05% change) + iteration 35: trace = 2.434027139062672 (4.44649e-05% change) + iteration 36: trace = 2.434026051103758 (4.46979e-05% change) + iteration 37: trace = 2.434025290259817 (3.12587e-05% change) + iteration 38: trace = 2.434024890203536 (1.6436e-05% change) + iteration 39: trace = 2.434024699211625 (7.84675e-06% change) + iteration 40: trace = 2.434024582765877 (4.78408e-06% change) + iteration 41: trace = 2.434024501404702 (3.34266e-06% change) + iteration 42: trace = 2.43402444491229 (2.32095e-06% change) + iteration 43: trace = 2.434024405241055 (1.62986e-06% change) + iteration 44: trace = 2.434024376364409 (1.18637e-06% change) + iteration 45: trace = 2.434024358073159 (7.51482e-07% change) + iteration 46: trace = 2.434024343733117 (5.89149e-07% change) + iteration 47: trace = 2.434024331684759 (4.94997e-07% change) + iteration 48: trace = 2.434024323967414 (3.17061e-07% change) + iteration 49: trace = 2.434024319651458 (1.77318e-07% change) + iteration 50: trace = 2.434024317319782 (9.57951e-08% change) + iteration 51: trace = 2.434024316054873 (5.19678e-08% change) + iteration 52: trace = 2.43402431518206 (3.58588e-08% change) + iteration 53: trace = 2.434024314412159 (3.16308e-08% change) + iteration 54: trace = 2.434024313637065 (3.18441e-08% change) + iteration 55: trace = 2.434024313051547 (2.40555e-08% change) + iteration 56: trace = 2.434024312716641 (1.37594e-08% change) + iteration 57: trace = 2.434024312517945 (8.16328e-09% change) + iteration 58: trace = 2.434024312400292 (4.83366e-09% change) + iteration 59: trace = 2.434024312330338 (2.874e-09% change) + iteration 60: trace = 2.434024312289114 (1.69369e-09% change) + iteration 61: trace = 2.434024312264099 (1.02769e-09% change) + iteration 62: trace = 2.434024312245573 (7.61147e-10% change) + iteration 63: trace = 2.434024312231552 (5.76051e-10% change) + iteration 64: trace = 2.434024312220043 (4.72839e-10% change) + iteration 65: trace = 2.434024312211038 (3.69955e-10% change) + iteration 66: trace = 2.434024312204711 (2.59919e-10% change) + iteration 67: trace = 2.434024312200432 (1.75809e-10% change) + iteration 68: trace = 2.43402431219783 (1.06898e-10% change) + iteration 69: trace = 2.434024312196429 (5.75632e-11% change) +Finished solving for bands 41 to 50 after 69 iterations. +Finished k-point with 80.6 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 -elapsed time for k point: 33.97890830039978 -total elapsed time for run: 34.01537299156189 +elapsed time for k point: 125.63654637336731 +total elapsed time for run: 125.67268657684326 done Fixing e-field (band 25) phase by -0.243926 + -0.969794i; max ampl. = 0.816569 -Outputting fields to /tmp/meepj2xd8H/test_point_defect_state-0-e.k01.b25.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + -3.2103e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data @@ -66618,7 +66575,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.008499622344970703 +elapsed time for initialization: 0.026441097259521484 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -66992,8 +66949,8 @@ iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 -elapsed time for k point: 1.2173876762390137 -total elapsed time for run: 1.2260072231292725 +elapsed time for k point: 2.2774927616119385 +total elapsed time for run: 2.3040950298309326 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67073,7 +67030,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.008111953735351562 +elapsed time for initialization: 0.013554811477661133 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67447,8 +67404,8 @@ iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 -elapsed time for k point: 0.7809858322143555 -total elapsed time for run: 0.7891907691955566 +elapsed time for k point: 5.7433202266693115 +total elapsed time for run: 5.757014513015747 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67528,7 +67485,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.008306741714477539 +elapsed time for initialization: 0.014407157897949219 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67973,8 +67930,8 @@ iteration 187: trace = 0.001795102514608241 (4.93553e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 -elapsed time for k point: 0.8329377174377441 -total elapsed time for run: 0.8413362503051758 +elapsed time for k point: 1.6077241897583008 +total elapsed time for run: 1.622260570526123 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68054,7 +68011,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.008207559585571289 +elapsed time for initialization: 0.013024568557739258 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68387,8 +68344,8 @@ iteration 144: trace = 0.0009724596426331909 (7.79284e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 -elapsed time for k point: 0.6407461166381836 -total elapsed time for run: 0.6490433216094971 +elapsed time for k point: 1.1053519248962402 +total elapsed time for run: 1.1185002326965332 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68468,7 +68425,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.008254289627075195 +elapsed time for initialization: 0.02946758270263672 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68769,8 +68726,8 @@ iteration 130: trace = 0.0004433872992476687 (9.26878e-07% change) Finished solving for bands 1 to 1 after 130 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732 -elapsed time for k point: 0.5926916599273682 -total elapsed time for run: 0.6010403633117676 +elapsed time for k point: 2.4039289951324463 +total elapsed time for run: 2.4335339069366455 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68850,7 +68807,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.008245468139648438 +elapsed time for initialization: 0.09505009651184082 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69185,8 +69142,8 @@ iteration 142: trace = 0.000705363032831463 (5.34146e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 -elapsed time for k point: 0.6328637599945068 -total elapsed time for run: 0.6412103176116943 +elapsed time for k point: 3.2449796199798584 +total elapsed time for run: 3.340195655822754 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69266,7 +69223,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.008659839630126953 +elapsed time for initialization: 0.1793842315673828 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69591,8 +69548,8 @@ iteration 139: trace = 0.000543176108261459 (6.45212e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 -elapsed time for k point: 0.6491119861602783 -total elapsed time for run: 0.6578636169433594 +elapsed time for k point: 4.854855060577393 +total elapsed time for run: 5.034383773803711 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69672,7 +69629,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.009224414825439453 +elapsed time for initialization: 0.01406550407409668 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69996,8 +69953,8 @@ iteration 138: trace = 0.0006236677264374821 (9.33409e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 -elapsed time for k point: 1.0696938037872314 -total elapsed time for run: 1.0790140628814697 +elapsed time for k point: 1.2378342151641846 +total elapsed time for run: 1.2520256042480469 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70077,7 +70034,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.008239269256591797 +elapsed time for initialization: 0.013208150863647461 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70401,8 +70358,8 @@ iteration 139: trace = 0.0005435712197209093 (7.00717e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 0.8254060745239258 -total elapsed time for run: 0.833737850189209 +elapsed time for k point: 2.390216588973999 +total elapsed time for run: 2.40354585647583 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70482,7 +70439,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.00815725326538086 +elapsed time for initialization: 0.030028581619262695 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70800,8 +70757,8 @@ iteration 136: trace = 0.0005834221953899264 (7.83825e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 -elapsed time for k point: 0.6930441856384277 -total elapsed time for run: 0.7013020515441895 +elapsed time for k point: 6.487595796585083 +total elapsed time for run: 6.517768383026123 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70881,7 +70838,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.008219003677368164 +elapsed time for initialization: 0.014331817626953125 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71205,8 +71162,8 @@ iteration 139: trace = 0.0005435714921653861 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 0.6530008316040039 -total elapsed time for run: 0.661313533782959 +elapsed time for k point: 2.6155219078063965 +total elapsed time for run: 2.6299848556518555 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71286,7 +71243,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.008286714553833008 +elapsed time for initialization: 0.02543926239013672 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71620,8 +71577,8 @@ iteration 145: trace = 0.0005634408794977988 (4.83407e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 -elapsed time for k point: 0.6719005107879639 -total elapsed time for run: 0.680286169052124 +elapsed time for k point: 8.891912937164307 +total elapsed time for run: 8.917518615722656 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71701,7 +71658,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.00826263427734375 +elapsed time for initialization: 0.025774717330932617 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72025,8 +71982,8 @@ iteration 139: trace = 0.0005435714922125628 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 0.7331278324127197 -total elapsed time for run: 0.741473913192749 +elapsed time for k point: 7.701403617858887 +total elapsed time for run: 7.727316617965698 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72106,7 +72063,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.008232593536376953 +elapsed time for initialization: 0.07323455810546875 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72430,8 +72387,8 @@ iteration 139: trace = 0.0005435714921889735 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 0.6354849338531494 -total elapsed time for run: 0.643805980682373 +elapsed time for k point: 2.4350037574768066 +total elapsed time for run: 2.5083677768707275 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72511,7 +72468,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.008183717727661133 +elapsed time for initialization: 0.013618707656860352 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72835,8 +72792,8 @@ iteration 139: trace = 0.0005435714922122164 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 0.746192216873169 -total elapsed time for run: 0.7544703483581543 +elapsed time for k point: 4.965274095535278 +total elapsed time for run: 4.979058742523193 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72916,7 +72873,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.013217926025390625 +elapsed time for initialization: 0.014073371887207031 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -73240,12 +73197,12 @@ iteration 139: trace = 0.0005435714922122164 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -.elapsed time for k point: 0.7134146690368652 -total elapsed time for run: 0.7267327308654785 +.elapsed time for k point: 2.688502311706543 +total elapsed time for run: 2.7027175426483154 done -/tmp/meepj2xd8H/test_point_defect_state-0: 46.26s +/tmp/meepaT3ehl/test_point_defect_state-0: 190.64s -/tmp/meepj2xd8H/test_poynting-0 +/tmp/meepaT3ehl/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -73288,7 +73245,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0022847652435302734 +elapsed time for initialization: 0.002863168716430664 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -73399,7 +73356,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.15819907188415527 +elapsed time for k point: 0.5971860885620117 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73650,7 +73607,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4696226119995117 +elapsed time for k point: 1.787771224975586 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73707,7 +73664,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.10477495193481445 +elapsed time for k point: 0.48635435104370117 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73760,7 +73717,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.09244728088378906 +elapsed time for k point: 1.6045477390289307 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73821,7 +73778,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10667157173156738 +elapsed time for k point: 1.214766025543213 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73914,7 +73871,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1698598861694336 +elapsed time for k point: 0.8869922161102295 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73985,7 +73942,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.12432742118835449 +elapsed time for k point: 0.37714052200317383 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74046,7 +74003,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.11143136024475098 +elapsed time for k point: 0.24058175086975098 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74099,7 +74056,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.09616899490356445 +elapsed time for k point: 0.23443126678466797 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74151,7 +74108,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.10300111770629883 +elapsed time for k point: 0.223585844039917 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74205,15 +74162,15 @@ tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 /build/reproducible-path/meep-1.29.0/python/meep/mpb/solver.py:366: DeprecationWarning: __array__ implementation doesn't accept a copy keyword, so passing copy=False failed. __array__ must implement 'dtype' and 'copy' keyword arguments. To learn more, see the migration guide https://numpy.org/devdocs/numpy_2_0_migration_guide.html#adapting-to-changes-in-the-copy-keyword res[i] = np.array(ExH(e[i], h[i])) -elapsed time for k point: 0.09592151641845703 -Outputting fields to /tmp/meepj2xd8H/test_poynting-0-flux.v.k11.b01.te.h5... -Outputting fields to /tmp/meepj2xd8H/test_poynting-0-flux.v.k11.b02.te.h5... -Outputting fields to /tmp/meepj2xd8H/test_poynting-0-flux.v.k11.b03.te.h5... -Outputting fields to /tmp/meepj2xd8H/test_poynting-0-flux.v.k11.b04.te.h5... -Outputting fields to /tmp/meepj2xd8H/test_poynting-0-flux.v.k11.b05.te.h5... -Outputting fields to /tmp/meepj2xd8H/test_poynting-0-flux.v.k11.b06.te.h5... -Outputting fields to /tmp/meepj2xd8H/test_poynting-0-flux.v.k11.b07.te.h5... -Outputting fields to /tmp/meepj2xd8H/test_poynting-0-flux.v.k11.b08.te.h5... +elapsed time for k point: 0.1509246826171875 +Outputting fields to /tmp/meepaT3ehl/test_poynting-0-flux.v.k11.b01.te.h5... +Outputting fields to /tmp/meepaT3ehl/test_poynting-0-flux.v.k11.b02.te.h5... +Outputting fields to /tmp/meepaT3ehl/test_poynting-0-flux.v.k11.b03.te.h5... +Outputting fields to /tmp/meepaT3ehl/test_poynting-0-flux.v.k11.b04.te.h5... +Outputting fields to /tmp/meepaT3ehl/test_poynting-0-flux.v.k11.b05.te.h5... +Outputting fields to /tmp/meepaT3ehl/test_poynting-0-flux.v.k11.b06.te.h5... +Outputting fields to /tmp/meepaT3ehl/test_poynting-0-flux.v.k11.b07.te.h5... +Outputting fields to /tmp/meepaT3ehl/test_poynting-0-flux.v.k11.b08.te.h5... solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74254,7 +74211,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.0711221694946289 +elapsed time for k point: 0.18558144569396973 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74301,7 +74258,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.08585524559020996 +elapsed time for k point: 0.24950695037841797 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74364,7 +74321,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.3968312740325928 +elapsed time for k point: 0.36472511291503906 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74437,7 +74394,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.12278914451599121 +elapsed time for k point: 0.3075745105743408 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -74632,7 +74589,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -..elapsed time for k point: 0.99381422996521 +..elapsed time for k point: 0.8281917572021484 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -74644,15 +74601,15 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 3.4496898651123047 +total elapsed time for run: 10.054617166519165 done -/tmp/meepj2xd8H/test_poynting-0: 3.46s +/tmp/meepaT3ehl/test_poynting-0: 10.07s -/tmp/meepj2xd8H/test_resolution-0 +/tmp/meepaT3ehl/test_resolution-0 ======================== -/tmp/meepj2xd8H/test_resolution-0: 0.00s +/tmp/meepaT3ehl/test_resolution-0: 0.01s -/tmp/meepj2xd8H/test_run_te-0 +/tmp/meepaT3ehl/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -74695,7 +74652,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016560554504394531 +elapsed time for initialization: 0.0028297901153564453 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -74806,7 +74763,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14293622970581055 +elapsed time for k point: 0.398531436920166 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75057,7 +75014,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.2960410118103027 +elapsed time for k point: 6.028687477111816 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75114,7 +75071,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.31465911865234375 +elapsed time for k point: 0.3730442523956299 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75167,7 +75124,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08724689483642578 +elapsed time for k point: 0.2883596420288086 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75228,7 +75185,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10099649429321289 +elapsed time for k point: 0.2810966968536377 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75321,7 +75278,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.5196352005004883 +elapsed time for k point: 0.31205296516418457 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75392,7 +75349,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.21828413009643555 +elapsed time for k point: 0.21753406524658203 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75453,7 +75410,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.3056786060333252 +elapsed time for k point: 0.1959242820739746 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75506,7 +75463,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.13607144355773926 +elapsed time for k point: 0.15765380859375 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75558,7 +75515,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08351421356201172 +elapsed time for k point: 0.1477971076965332 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75610,7 +75567,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.222320556640625 +elapsed time for k point: 0.8079500198364258 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75651,7 +75608,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.0660395622253418 +elapsed time for k point: 0.16079473495483398 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75698,7 +75655,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07645821571350098 +elapsed time for k point: 0.19807839393615723 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75761,7 +75718,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.6201682090759277 +elapsed time for k point: 0.3030228614807129 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75834,7 +75791,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 1.2240335941314697 +elapsed time for k point: 0.43767809867858887 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -76029,7 +75986,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.254932165145874 +.elapsed time for k point: 0.935431957244873 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -76041,11 +75998,11 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 5.672069072723389 +total elapsed time for run: 11.252417087554932 done -/tmp/meepj2xd8H/test_run_te-0: 5.67s +/tmp/meepaT3ehl/test_run_te-0: 11.25s -/tmp/meepj2xd8H/test_run_te_no_geometry-0 +/tmp/meepaT3ehl/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance @@ -76086,7 +76043,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0011284351348876953 +elapsed time for initialization: 0.006228923797607422 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -76109,7 +76066,7 @@ iteration 8: trace = 10.00000000175005 (4.04653e-07% change) Finished solving for bands 2 to 8 after 8 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 -elapsed time for k point: 0.023817777633666992 +elapsed time for k point: 0.10596537590026855 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace @@ -76119,35 +76076,35 @@ iteration 2: trace = 9.880000004055375 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 -elapsed time for k point: 0.009598731994628906 +elapsed time for k point: 0.03248000144958496 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339346 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 -elapsed time for k point: 0.0060389041900634766 +elapsed time for k point: 0.022355079650878906 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56717e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 -elapsed time for k point: 0.0060198307037353516 +elapsed time for k point: 0.021592140197753906 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43847e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 -elapsed time for k point: 0.006047964096069336 +elapsed time for k point: 0.018819093704223633 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.98061e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 -elapsed time for k point: 0.006044864654541016 +elapsed time for k point: 0.022928714752197266 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace @@ -76157,7 +76114,7 @@ iteration 2: trace = 10.87999995545266 (4.05901e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929 -elapsed time for k point: 0.009516000747680664 +elapsed time for k point: 0.03599953651428223 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace @@ -76167,7 +76124,7 @@ iteration 2: trace = 10.72763986668089 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 -elapsed time for k point: 0.009567022323608398 +elapsed time for k point: 0.034102439880371094 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -76188,21 +76145,21 @@ iteration 8: trace = 10.72000017693059 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 -elapsed time for k point: 0.03046250343322754 +elapsed time for k point: 0.10790061950683594 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 11.28000006011032 (3.51788e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.640312, 0.640312, 0.781025, 0.781025, 1.48661, 1.48661, 1.55242, 1.55242 -elapsed time for k point: 0.006017923355102539 +elapsed time for k point: 0.022315502166748047 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 12.00000000012884 (4.02124e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.707107, 0.707107, 0.707107, 0.707107, 1.58114, 1.58114, 1.58114, 1.58114 -elapsed time for k point: 0.006040096282958984 +elapsed time for k point: 0.023008346557617188 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace @@ -76364,35 +76321,35 @@ iteration 77: trace = 10.96000007994671 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 -elapsed time for k point: 0.27182960510253906 +elapsed time for k point: 0.9745264053344727 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.24000001500887 (1.09258e-06% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.424264, 0.761577, 0.761577, 0.989949, 1.33417, 1.33417, 1.47648, 1.47648 -elapsed time for k point: 0.006064653396606445 +elapsed time for k point: 0.02175140380859375 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.84000000175697 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 -elapsed time for k point: 0.00602269172668457 +elapsed time for k point: 0.023222684860229492 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165839 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 -elapsed time for k point: 0.006031513214111328 +elapsed time for k point: 0.02281808853149414 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76504e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 -.elapsed time for k point: 0.00475621223449707 +.elapsed time for k point: 0.016761302947998047 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350688 at Vector3<0.5, 0.0, 0.0> to 1.000000000046465 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884203 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555266 at Vector3<0.5, 0.0, 0.0> @@ -76401,11 +76358,11 @@ Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085846 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164044 at Vector3<0.2, 0.0, 0.0> to 1.5811388300892408 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.8027756376524438 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.4155435562133789 +total elapsed time for run: 1.5137009620666504 done -/tmp/meepj2xd8H/test_run_te_no_geometry-0: 0.42s +/tmp/meepaT3ehl/test_run_te_no_geometry-0: 1.52s -/tmp/meepj2xd8H/test_run_te_with_mu_material-0 +/tmp/meepaT3ehl/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -76449,7 +76406,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.002421140670776367 +elapsed time for initialization: 0.008385181427001953 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -76867,7 +76824,7 @@ iteration 204: trace = 6.854300770958496 (9.20275e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 -elapsed time for k point: 2.246382474899292 +elapsed time for k point: 3.851269006729126 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -77236,7 +77193,7 @@ iteration 153: trace = 6.791967496517151 (9.80113e-11% change) Finished solving for bands 1 to 8 after 153 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 -elapsed time for k point: 0.9337031841278076 +elapsed time for k point: 5.584018707275391 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -77482,7 +77439,7 @@ iteration 106: trace = 6.760812143881644 (7.76406e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 -elapsed time for k point: 0.6341564655303955 +elapsed time for k point: 1.7533190250396729 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -77709,7 +77666,7 @@ iteration 101: trace = 6.801884535649956 (3.96305e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 -elapsed time for k point: 0.6607472896575928 +elapsed time for k point: 2.3078622817993164 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -78296,7 +78253,7 @@ iteration 280: trace = 6.680068177092473 (7.91641e-11% change) Finished solving for bands 1 to 8 after 280 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 -elapsed time for k point: 2.1810555458068848 +elapsed time for k point: 9.981323003768921 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78457,7 +78414,7 @@ iteration 77: trace = 6.642769244576464 (7.95685e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 -elapsed time for k point: 0.4968400001525879 +elapsed time for k point: 6.467405557632446 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78641,7 +78598,7 @@ iteration 87: trace = 6.66350567751532 (7.30029e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 -elapsed time for k point: 0.5287668704986572 +elapsed time for k point: 9.168104648590088 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78853,7 +78810,7 @@ iteration 102: trace = 6.708845621699862 (7.78183e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 -elapsed time for k point: 0.6174664497375488 +elapsed time for k point: 1.949338674545288 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -79107,7 +79064,7 @@ iteration 123: trace = 6.740400274230122 (8.45301e-11% change) Finished solving for bands 1 to 8 after 123 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 -elapsed time for k point: 0.7473964691162109 +elapsed time for k point: 5.366754055023193 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -79797,7 +79754,7 @@ iteration 331: trace = 6.63873345548043 (9.39321e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 -elapsed time for k point: 2.395111322402954 +elapsed time for k point: 12.919021844863892 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -79942,7 +79899,7 @@ iteration 69: trace = 6.611072637361763 (7.45761e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 -elapsed time for k point: 0.5121686458587646 +elapsed time for k point: 1.3914575576782227 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80145,7 +80102,7 @@ iteration 97: trace = 6.660936714455183 (7.69513e-11% change) Finished solving for bands 1 to 8 after 97 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 -elapsed time for k point: 0.5958878993988037 +elapsed time for k point: 6.916011810302734 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80412,7 +80369,7 @@ iteration 127: trace = 6.72049846555446 (5.69079e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 -elapsed time for k point: 0.7618453502655029 +elapsed time for k point: 3.0461909770965576 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80655,7 +80612,7 @@ iteration 106: trace = 6.712756811075088 (9.54499e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 -elapsed time for k point: 0.6453993320465088 +elapsed time for k point: 6.317373275756836 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80971,7 +80928,7 @@ iteration 130: trace = 6.746817618121911 (5.2131e-11% change) Finished solving for bands 1 to 8 after 130 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 -elapsed time for k point: 0.78450608253479 +elapsed time for k point: 2.6212940216064453 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. @@ -81243,7 +81200,7 @@ iteration 132: trace = 6.854300770959848 (8.97599e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 -elapsed time for k point: 0.6481893062591553 +elapsed time for k point: 4.020895719528198 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037411 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.47328232348726035 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290457 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818532 at Vector3<0.5, 0.5, 0.0> to 0.8037365323033597 at Vector3<0.5, 0.0, 0.0> @@ -81254,14 +81211,14 @@ Band 8 range: 1.2059728636717575 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605918 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037411) to band 2 (0.47328232348726035), 12.756230634746919% Gap from band 4 (0.8863448167711816) to band 5 (0.9047498485810733), 2.0551713056743437% -total elapsed time for run: 15.393645524978638 +total elapsed time for run: 83.67238330841064 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" -Outputting /tmp/meepj2xd8H/test_run_te_with_mu_material-0-mu.h5... +Outputting /tmp/meepaT3ehl/test_run_te_with_mu_material-0-mu.h5... mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" -./tmp/meepj2xd8H/test_run_te_with_mu_material-0: 15.40s +./tmp/meepaT3ehl/test_run_te_with_mu_material-0: 83.69s -/tmp/meepj2xd8H/test_run_tm-0 +/tmp/meepaT3ehl/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -81304,7 +81261,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016720294952392578 +elapsed time for initialization: 0.0026445388793945312 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -81440,7 +81397,7 @@ iteration 61: trace = 4.373720851032911 (3.63295e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.17230987548828125 +elapsed time for k point: 0.7851693630218506 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81491,7 +81448,7 @@ iteration 23: trace = 4.290857263081686 (9.13875e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 -elapsed time for k point: 0.0955967903137207 +elapsed time for k point: 0.5784461498260498 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -81522,7 +81479,7 @@ iteration 13: trace = 4.208307958519127 (3.8665e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 -elapsed time for k point: 0.05467844009399414 +elapsed time for k point: 0.14591741561889648 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81553,7 +81510,7 @@ iteration 13: trace = 4.150444015828809 (1.02932e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 -elapsed time for k point: 0.05004143714904785 +elapsed time for k point: 0.10704684257507324 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81584,7 +81541,7 @@ iteration 13: trace = 4.119598598621691 (1.07368e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 -elapsed time for k point: 0.04995274543762207 +elapsed time for k point: 0.07900166511535645 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81615,7 +81572,7 @@ iteration 13: trace = 4.110777242725125 (6.69573e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 -elapsed time for k point: 0.051818132400512695 +elapsed time for k point: 0.07979035377502441 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81644,7 +81601,7 @@ iteration 12: trace = 4.099489964274799 (2.50671e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 -elapsed time for k point: 0.04862260818481445 +elapsed time for k point: 0.40087342262268066 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81671,7 +81628,7 @@ iteration 11: trace = 4.07945289580348 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 -elapsed time for k point: 0.042884111404418945 +elapsed time for k point: 0.14553308486938477 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81700,7 +81657,7 @@ iteration 12: trace = 4.068759276129137 (1.19188e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 -elapsed time for k point: 0.04579877853393555 +elapsed time for k point: 0.1433560848236084 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81733,7 +81690,7 @@ iteration 14: trace = 4.075526949349669 (2.60644e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 -elapsed time for k point: 0.05464959144592285 +elapsed time for k point: 0.15944266319274902 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81768,7 +81725,7 @@ iteration 15: trace = 4.092150433618242 (9.10284e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 -elapsed time for k point: 0.05663108825683594 +elapsed time for k point: 0.15573811531066895 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81805,7 +81762,7 @@ iteration 16: trace = 4.046652183676479 (2.14217e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 -elapsed time for k point: 0.06251120567321777 +elapsed time for k point: 0.1624281406402588 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81834,7 +81791,7 @@ iteration 12: trace = 4.04451323639685 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 -elapsed time for k point: 0.04706525802612305 +elapsed time for k point: 0.15786409378051758 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81863,7 +81820,7 @@ iteration 12: trace = 4.113415259755486 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 -elapsed time for k point: 0.046416282653808594 +elapsed time for k point: 0.1435861587524414 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81896,7 +81853,7 @@ iteration 14: trace = 4.240749642028247 (2.11324e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 -elapsed time for k point: 0.054560184478759766 +elapsed time for k point: 0.13999485969543457 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -82028,7 +81985,7 @@ iteration 59: trace = 4.373720851594716 (8.84783e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -.elapsed time for k point: 0.17429018020629883 +.elapsed time for k point: 0.40299510955810547 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> @@ -82039,11 +81996,11 @@ Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% -total elapsed time for run: 1.1108791828155518 +total elapsed time for run: 3.800156831741333 done -/tmp/meepj2xd8H/test_run_tm-0: 1.11s +/tmp/meepaT3ehl/test_run_tm-0: 3.81s -/tmp/meepj2xd8H/test_set_eigenvectors-0 +/tmp/meepaT3ehl/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -82086,7 +82043,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0018706321716308594 +elapsed time for initialization: 0.0024476051330566406 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -82197,7 +82154,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1607685089111328 +elapsed time for k point: 0.480457067489624 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82448,7 +82405,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4639458656311035 +elapsed time for k point: 1.3639516830444336 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82505,7 +82462,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09956741333007812 +elapsed time for k point: 0.3110172748565674 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82558,7 +82515,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.09218955039978027 +elapsed time for k point: 0.292893648147583 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82619,7 +82576,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.1059422492980957 +elapsed time for k point: 0.3876678943634033 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82712,7 +82669,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1646711826324463 +elapsed time for k point: 0.8280694484710693 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82783,7 +82740,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.12593960762023926 +elapsed time for k point: 0.627863883972168 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82844,7 +82801,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.1049802303314209 +elapsed time for k point: 0.5358595848083496 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82897,7 +82854,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.09099030494689941 +elapsed time for k point: 0.45475244522094727 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82949,7 +82906,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08755135536193848 +elapsed time for k point: 1.3171095848083496 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83001,7 +82958,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08733558654785156 +elapsed time for k point: 0.34705424308776855 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83042,7 +82999,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.0697627067565918 +elapsed time for k point: 0.13511371612548828 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83089,7 +83046,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07779717445373535 +elapsed time for k point: 0.3218722343444824 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83152,7 +83109,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.11088275909423828 +elapsed time for k point: 0.4484903812408447 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83225,7 +83182,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1271677017211914 +elapsed time for k point: 0.625316858291626 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -83420,7 +83377,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2621469497680664 +elapsed time for k point: 0.8236830234527588 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -83432,7 +83389,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.2349650859832764 +total elapsed time for run: 9.305426359176636 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -83474,7 +83431,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016913414001464844 +elapsed time for initialization: 0.0067102909088134766 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -83585,7 +83542,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14258503913879395 +elapsed time for k point: 0.46105003356933594 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -83833,10 +83790,11 @@ linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. + switching to approximate line minimization (decrease time by 99.9002%) iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4691329002380371 +elapsed time for k point: 6.337870836257935 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83893,7 +83851,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09814143180847168 +elapsed time for k point: 0.7501130104064941 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83946,7 +83904,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.09126734733581543 +elapsed time for k point: 0.9744861125946045 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84007,7 +83965,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10391068458557129 +elapsed time for k point: 0.21020793914794922 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84100,7 +84058,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.15973210334777832 +elapsed time for k point: 0.4521298408508301 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -84171,7 +84129,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.12517499923706055 +elapsed time for k point: 0.21638131141662598 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84232,7 +84190,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10853362083435059 +elapsed time for k point: 0.20580148696899414 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84285,7 +84243,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.24338269233703613 +elapsed time for k point: 0.17937040328979492 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84337,7 +84295,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08404207229614258 +elapsed time for k point: 0.2781822681427002 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84389,7 +84347,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.0850670337677002 +elapsed time for k point: 0.1834864616394043 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84430,7 +84388,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06632208824157715 +elapsed time for k point: 0.13422656059265137 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84477,7 +84435,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.08186221122741699 +elapsed time for k point: 0.22455835342407227 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84540,7 +84498,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.11324214935302734 +elapsed time for k point: 0.3650636672973633 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84554,273 +84512,246 @@ linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. + switching to approximate line minimization (decrease time by 99.8957%) iteration 6: trace = 5.523244061864359 (0.0160383% change) - linmin: converged after 3 iterations. - iteration 7: trace = 5.522921055230325 (0.0058483% change) - linmin: converged after 3 iterations. - iteration 8: trace = 5.522756882390533 (0.00297262% change) - linmin: converged after 4 iterations. - iteration 9: trace = 5.522649699671239 (0.00194077% change) - linmin: converged after 4 iterations. - iteration 10: trace = 5.52254069646429 (0.00197377% change) - linmin: converged after 4 iterations. - iteration 11: trace = 5.522446530191868 (0.00170514% change) - linmin: converged after 4 iterations. - iteration 12: trace = 5.522358366928774 (0.00159647% change) - linmin: converged after 3 iterations. - iteration 13: trace = 5.522300787120916 (0.00104267% change) - linmin: converged after 4 iterations. - iteration 14: trace = 5.522279640463562 (0.000382933% change) - linmin: converged after 3 iterations. - iteration 15: trace = 5.522271218167742 (0.000152515% change) - linmin: converged after 3 iterations. - iteration 16: trace = 5.522268619549806 (4.70571e-05% change) - linmin: converged after 4 iterations. - iteration 17: trace = 5.522267958291888 (1.19744e-05% change) - linmin: converged after 2 iterations. - iteration 18: trace = 5.522267758808152 (3.61235e-06% change) - linmin: converged after 3 iterations. - iteration 19: trace = 5.522267691563167 (1.21771e-06% change) - linmin: converged after 2 iterations. - iteration 20: trace = 5.522267667643991 (4.3314e-07% change) - linmin: converged after 4 iterations. - iteration 21: trace = 5.522267656937725 (1.93874e-07% change) - linmin: converged after 18 iterations. - iteration 22: trace = 5.522267653032028 (7.07263e-08% change) - linmin: converged after 22 iterations. - iteration 23: trace = 5.522267650434996 (4.70284e-08% change) - linmin: converged after 17 iterations. - iteration 24: trace = 5.522267648929227 (2.72672e-08% change) - linmin: converged after 7 iterations. - iteration 25: trace = 5.522267648122262 (1.46129e-08% change) - linmin: converged after 4 iterations. - iteration 26: trace = 5.522267647457964 (1.20294e-08% change) - linmin: converged after 4 iterations. - iteration 27: trace = 5.522267646822531 (1.15067e-08% change) - linmin: converged after 4 iterations. - iteration 28: trace = 5.522267646290373 (9.63659e-09% change) - linmin: converged after 7 iterations. - iteration 29: trace = 5.522267645965349 (5.88569e-09% change) - linmin: converged after 4 iterations. - iteration 30: trace = 5.522267645803383 (2.93295e-09% change) - linmin: converged after 8 iterations. - iteration 31: trace = 5.522267645716783 (1.5682e-09% change) - linmin: converged after 12 iterations. - iteration 32: trace = 5.52226764567925 (6.79676e-10% change) - linmin: converged after 5 iterations. - iteration 33: trace = 5.522267645667596 (2.11033e-10% change) - linmin: converged after 3 iterations. - iteration 34: trace = 5.522267645664736 (5.17891e-11% change) + iteration 7: trace = 5.522921089176858 (0.00584769% change) + iteration 8: trace = 5.522756726365 (0.00297606% change) + iteration 9: trace = 5.522649692013687 (0.00193808% change) + iteration 10: trace = 5.522540658602619 (0.00197431% change) + iteration 11: trace = 5.522446594591258 (0.00170329% change) + iteration 12: trace = 5.522358206974623 (0.00160053% change) + iteration 13: trace = 5.522300763464548 (0.0010402% change) + iteration 14: trace = 5.522279636022737 (0.000382585% change) + iteration 15: trace = 5.522271225111828 (0.000152309% change) + iteration 16: trace = 5.522268622136965 (4.7136e-05% change) + iteration 17: trace = 5.52226795756636 (1.20344e-05% change) + iteration 18: trace = 5.522267756741217 (3.63664e-06% change) + iteration 19: trace = 5.52226768895962 (1.22742e-06% change) + iteration 20: trace = 5.522267664927858 (4.35179e-07% change) + iteration 21: trace = 5.522267654376267 (1.91074e-07% change) + iteration 22: trace = 5.522267650744308 (6.57694e-08% change) + iteration 23: trace = 5.522267648585892 (3.90857e-08% change) + iteration 24: trace = 5.522267647476442 (2.00905e-08% change) + iteration 25: trace = 5.522267646983546 (8.92562e-09% change) + iteration 26: trace = 5.522267646657218 (5.90932e-09% change) + iteration 27: trace = 5.522267646375589 (5.09988e-09% change) + iteration 28: trace = 5.522267646111855 (4.77583e-09% change) + iteration 29: trace = 5.522267645911375 (3.63039e-09% change) + iteration 30: trace = 5.522267645789343 (2.20982e-09% change) + iteration 31: trace = 5.522267645714247 (1.35988e-09% change) + iteration 32: trace = 5.522267645678879 (6.40464e-10% change) + iteration 33: trace = 5.522267645667508 (2.05902e-10% change) + iteration 34: trace = 5.52226764566468 (5.12101e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.13160943984985352 +elapsed time for k point: 5.789865493774414 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 5.623415343689584 (0.88056% change) + iteration 1: trace = 5.623415332051614 (0.88056% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.591482468798356 (0.569472% change) + iteration 2: trace = 5.591482465101732 (0.569472% change) linmin: converged after 5 iterations. - iteration 3: trace = 5.580951640938904 (0.188514% change) + iteration 3: trace = 5.580951638955376 (0.188514% change) linmin: converged after 5 iterations. - iteration 4: trace = 5.575083172740608 (0.105207% change) + iteration 4: trace = 5.575083171818125 (0.105207% change) linmin: converged after 5 iterations. - iteration 5: trace = 5.571618736262284 (0.0621607% change) + iteration 5: trace = 5.571618732573413 (0.0621608% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.570324107766295 (0.0232388% change) + iteration 6: trace = 5.570324104019491 (0.0232388% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.569686885895645 (0.0114402% change) + iteration 7: trace = 5.569686882059971 (0.0114402% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.56946065641691 (0.00406188% change) + iteration 8: trace = 5.569460652368919 (0.00406189% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.569345938947366 (0.00205978% change) + iteration 9: trace = 5.569345934665783 (0.00205978% change) linmin: converged after 4 iterations. - iteration 10: trace = 5.569289951397795 (0.00100529% change) - linmin: converged after 5 iterations. - iteration 11: trace = 5.5692568807753 (0.000593805% change) - linmin: converged after 5 iterations. - iteration 12: trace = 5.569207664427222 (0.000883719% change) + iteration 10: trace = 5.56928994683393 (0.00100529% change) + linmin: converged after 4 iterations. + iteration 11: trace = 5.569256875905205 (0.00059381% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.569133502528049 (0.00133165% change) - large trace change predicted (0.00839774%) + iteration 12: trace = 5.569207658819435 (0.000883732% change) + linmin: converged after 3 iterations. + iteration 13: trace = 5.569133495346234 (0.00133168% change) + large trace change predicted (0.00839802%) linmin: converged after 6 iterations. - iteration 14: trace = 5.568684283158857 (0.00806656% change) + iteration 14: trace = 5.568684262021041 (0.00806681% change) near maximum in trace linmin: converged after 8 iterations. - iteration 15: trace = 5.566399673345931 (0.0410344% change) + iteration 15: trace = 5.566399665405216 (0.0410342% change) linmin: converged after 5 iterations. - iteration 16: trace = 5.565541201869147 (0.0154236% change) + iteration 16: trace = 5.565541188257996 (0.0154237% change) linmin: converged after 5 iterations. - iteration 17: trace = 5.564709389094751 (0.0149469% change) + iteration 17: trace = 5.564709371293381 (0.014947% change) + linmin: converged after 13 iterations. + iteration 18: trace = 5.56378376242918 (0.0166349% change) linmin: converged after 7 iterations. - iteration 18: trace = 5.563783785139663 (0.0166348% change) + iteration 19: trace = 5.562667976978725 (0.0200564% change) linmin: converged after 5 iterations. - iteration 19: trace = 5.562668008808352 (0.0200563% change) + iteration 20: trace = 5.561318594979697 (0.0242608% change) linmin: converged after 5 iterations. - iteration 20: trace = 5.561318637790889 (0.0242606% change) - linmin: converged after 6 iterations. - iteration 21: trace = 5.559813631246596 (0.0270657% change) - linmin: converged after 4 iterations. - iteration 22: trace = 5.558314618713583 (0.0269652% change) - linmin: converged after 10 iterations. - iteration 23: trace = 5.556960245069321 (0.0243696% change) - linmin: converged after 13 iterations. - iteration 24: trace = 5.555789586225054 (0.0210688% change) + iteration 21: trace = 5.559813579413506 (0.0270659% change) linmin: converged after 5 iterations. - iteration 25: trace = 5.55479872055854 (0.0178364% change) + iteration 22: trace = 5.558314560445596 (0.0269653% change) + linmin: converged after 7 iterations. + iteration 23: trace = 5.556960184803182 (0.0243696% change) + linmin: converged after 5 iterations. + iteration 24: trace = 5.555789528414476 (0.0210687% change) + linmin: converged after 6 iterations. + iteration 25: trace = 5.554798664837484 (0.0178364% change) linmin: converged after 4 iterations. - iteration 26: trace = 5.553994113747302 (0.0144859% change) + iteration 26: trace = 5.553994059916735 (0.0144859% change) linmin: converged after 4 iterations. - iteration 27: trace = 5.553376035493455 (0.0111292% change) + iteration 27: trace = 5.553375984047284 (0.0111291% change) linmin: converged after 4 iterations. - iteration 28: trace = 5.552913676504293 (0.00832607% change) + iteration 28: trace = 5.552913627650813 (0.00832603% change) linmin: converged after 4 iterations. - iteration 29: trace = 5.552555837785826 (0.00644437% change) + iteration 29: trace = 5.552555791100627 (0.00644433% change) linmin: converged after 4 iterations. - iteration 30: trace = 5.552254969621722 (0.0054187% change) + iteration 30: trace = 5.552254924387685 (0.00541867% change) linmin: converged after 4 iterations. - iteration 31: trace = 5.551980060557256 (0.00495143% change) + iteration 31: trace = 5.551980016127878 (0.00495141% change) linmin: converged after 4 iterations. - iteration 32: trace = 5.551718956583287 (0.00470301% change) + iteration 32: trace = 5.551718912650435 (0.004703% change) linmin: converged after 4 iterations. - iteration 33: trace = 5.551473590067667 (0.00441975% change) + iteration 33: trace = 5.551473546743225 (0.00441974% change) linmin: converged after 4 iterations. - iteration 34: trace = 5.551249526417464 (0.00403619% change) + iteration 34: trace = 5.551249483979553 (0.00403618% change) linmin: converged after 4 iterations. - iteration 35: trace = 5.551047677046615 (0.00363617% change) + iteration 35: trace = 5.551047635608567 (0.00363616% change) linmin: converged after 4 iterations. - iteration 36: trace = 5.550864324825069 (0.00330307% change) - linmin: converged after 4 iterations. - iteration 37: trace = 5.550695188730021 (0.00304707% change) + iteration 36: trace = 5.550864284281641 (0.00330306% change) linmin: converged after 3 iterations. - iteration 38: trace = 5.550537717614253 (0.002837% change) + iteration 37: trace = 5.550695148924148 (0.00304706% change) linmin: converged after 3 iterations. - iteration 39: trace = 5.550390744693352 (0.00264794% change) + iteration 38: trace = 5.550537678484645 (0.00283699% change) + linmin: converged after 4 iterations. + iteration 39: trace = 5.550390706280922 (0.00264793% change) linmin: converged after 3 iterations. - iteration 40: trace = 5.550253430259206 (0.00247399% change) + iteration 40: trace = 5.550253392629395 (0.00247398% change) linmin: converged after 3 iterations. - iteration 41: trace = 5.550124903241969 (0.00231572% change) + iteration 41: trace = 5.550124866443023 (0.00231571% change) + linmin: converged after 3 iterations. + iteration 42: trace = 5.550004385648196 (0.0021708% change) linmin: converged after 4 iterations. - iteration 42: trace = 5.550004421559369 (0.00217082% change) + iteration 43: trace = 5.549891426504237 (0.00203532% change) linmin: converged after 3 iterations. - iteration 43: trace = 5.549891461428066 (0.00203534% change) + iteration 44: trace = 5.549785722673774 (0.00190463% change) linmin: converged after 3 iterations. - iteration 44: trace = 5.549785756475371 (0.00190465% change) + iteration 45: trace = 5.549687444544571 (0.00177086% change) linmin: converged after 3 iterations. - iteration 45: trace = 5.549687477092357 (0.00177088% change) + iteration 46: trace = 5.549597199851137 (0.00162614% change) linmin: converged after 3 iterations. - iteration 46: trace = 5.549597231059002 (0.00162616% change) + iteration 47: trace = 5.549515407646957 (0.00147385% change) linmin: converged after 3 iterations. - iteration 47: trace = 5.549515437514302 (0.00147388% change) + iteration 48: trace = 5.549441401865662 (0.00133356% change) linmin: converged after 3 iterations. - iteration 48: trace = 5.549441430505917 (0.00133358% change) + iteration 49: trace = 5.54937327251109 (0.00122769% change) linmin: converged after 3 iterations. - iteration 49: trace = 5.549373300133808 (0.00122771% change) + iteration 50: trace = 5.549308804680694 (0.00116172% change) linmin: converged after 3 iterations. - iteration 50: trace = 5.549308831509652 (0.00116173% change) + iteration 51: trace = 5.549246763087335 (0.00111801% change) linmin: converged after 3 iterations. - iteration 51: trace = 5.549246789252495 (0.00111802% change) + iteration 52: trace = 5.549187367209186 (0.00107035% change) linmin: converged after 3 iterations. - iteration 52: trace = 5.549187392702872 (0.00107036% change) + iteration 53: trace = 5.549131399524881 (0.00100858% change) linmin: converged after 3 iterations. - iteration 53: trace = 5.549131424282619 (0.00100859% change) + iteration 54: trace = 5.5490789299408 (0.00094555% change) linmin: converged after 3 iterations. - iteration 54: trace = 5.549078953950442 (0.000945564% change) + iteration 55: trace = 5.549029190946701 (0.000896351% change) linmin: converged after 3 iterations. - iteration 55: trace = 5.549029214246225 (0.000896364% change) + iteration 56: trace = 5.54898158068552 (0.000857996% change) linmin: converged after 3 iterations. - iteration 56: trace = 5.54898160326973 (0.000858009% change) + iteration 57: trace = 5.548936419527164 (0.000813867% change) linmin: converged after 3 iterations. - iteration 57: trace = 5.54893644131103 (0.000813882% change) + iteration 58: trace = 5.54889441742754 (0.000756943% change) linmin: converged after 3 iterations. - iteration 58: trace = 5.548894438355841 (0.000756958% change) + iteration 59: trace = 5.548855452016626 (0.000702222% change) linmin: converged after 3 iterations. - iteration 59: trace = 5.54885547219858 (0.000702235% change) + iteration 60: trace = 5.548818194478736 (0.000671448% change) + linmin: converged after 4 iterations. + iteration 61: trace = 5.54878092085334 (0.000671742% change) linmin: converged after 3 iterations. - iteration 60: trace = 5.548818214181233 (0.000671456% change) + iteration 62: trace = 5.548742699590138 (0.000688825% change) linmin: converged after 3 iterations. - iteration 61: trace = 5.548780940356195 (0.000671746% change) - linmin: converged after 4 iterations. - iteration 62: trace = 5.548742718995132 (0.000688827% change) + iteration 63: trace = 5.548704050848938 (0.000696534% change) linmin: converged after 3 iterations. - iteration 63: trace = 5.548704069980684 (0.000696539% change) + iteration 64: trace = 5.548666441922942 (0.000677799% change) linmin: converged after 3 iterations. - iteration 64: trace = 5.548666460443484 (0.00067781% change) + iteration 65: trace = 5.548631140196629 (0.000636222% change) linmin: converged after 3 iterations. - iteration 65: trace = 5.548631157812784 (0.000636238% change) + iteration 66: trace = 5.5485987661996 (0.000583461% change) linmin: converged after 3 iterations. - iteration 66: trace = 5.548598782737487 (0.00058348% change) + iteration 67: trace = 5.548569708409897 (0.000523697% change) linmin: converged after 3 iterations. - iteration 67: trace = 5.548569723773046 (0.000523719% change) - linmin: converged after 4 iterations. - iteration 68: trace = 5.548544403250723 (0.000456344% change) - linmin: converged after 5 iterations. - iteration 69: trace = 5.54852291959788 (0.000387195% change) + iteration 68: trace = 5.548544389084122 (0.000456323% change) + linmin: converged after 3 iterations. + iteration 69: trace = 5.548522906518744 (0.000387176% change) resetting CG direction... - large trace change predicted (0.00347725%) + large trace change predicted (0.00347709%) + linmin: converged after 6 iterations. + iteration 70: trace = 5.548329972023642 (0.00347728% change) linmin: converged after 5 iterations. - iteration 70: trace = 5.548329976694497 (0.00347743% change) - linmin: converged after 8 iterations. - iteration 71: trace = 5.548232222528725 (0.00176188% change) + iteration 71: trace = 5.548232218200944 (0.00176188% change) linmin: converged after 4 iterations. - iteration 72: trace = 5.548180081080814 (0.000939789% change) + iteration 72: trace = 5.548180078408253 (0.000939759% change) linmin: converged after 5 iterations. - iteration 73: trace = 5.548158373786155 (0.000391251% change) - linmin: converged after 4 iterations. - iteration 74: trace = 5.548148375773417 (0.000180204% change) + iteration 73: trace = 5.548158372639056 (0.000391224% change) + linmin: converged after 5 iterations. + iteration 74: trace = 5.548148375180309 (0.000180194% change) linmin: converged after 3 iterations. - iteration 75: trace = 5.548144673473507 (6.67304e-05% change) + iteration 75: trace = 5.548144673009109 (6.67281e-05% change) + linmin: converged after 4 iterations. + iteration 76: trace = 5.548141864496501 (5.06208e-05% change) + linmin: converged after 4 iterations. + iteration 77: trace = 5.548138836668611 (5.45737e-05% change) linmin: converged after 3 iterations. - iteration 76: trace = 5.548141864891512 (5.0622e-05% change) + iteration 78: trace = 5.548134589092445 (7.65586e-05% change) + linmin: converged after 4 iterations. + iteration 79: trace = 5.5481287461373 (0.000105314% change) linmin: converged after 3 iterations. - iteration 77: trace = 5.548138837044793 (5.45741e-05% change) + iteration 80: trace = 5.548123649027324 (9.18708e-05% change) linmin: converged after 3 iterations. - iteration 78: trace = 5.548134589429233 (7.65593e-05% change) + iteration 81: trace = 5.548120938923647 (4.88472e-05% change) linmin: converged after 4 iterations. - iteration 79: trace = 5.548128746381331 (0.000105316% change) - linmin: converged after 4 iterations. - iteration 80: trace = 5.548123649319518 (9.187e-05% change) - linmin: converged after 4 iterations. - iteration 81: trace = 5.548120939113862 (4.88491e-05% change) - linmin: converged after 6 iterations. - iteration 82: trace = 5.548119009802553 (3.47741e-05% change) + iteration 82: trace = 5.548119009736423 (3.47719e-05% change) linmin: converged after 3 iterations. - iteration 83: trace = 5.548118262534253 (1.34689e-05% change) - linmin: converged after 5 iterations. - iteration 84: trace = 5.548117907881999 (6.3923e-06% change) - linmin: converged after 2 iterations. - iteration 85: trace = 5.54811780201584 (1.90815e-06% change) - linmin: converged after 2 iterations. - iteration 86: trace = 5.54811774168687 (1.08738e-06% change) + iteration 83: trace = 5.548118262523364 (1.34679e-05% change) + linmin: converged after 9 iterations. + iteration 84: trace = 5.548117907880318 (6.39213e-06% change) linmin: converged after 3 iterations. - iteration 87: trace = 5.548117729428171 (2.20952e-07% change) - linmin: converged after 27 iterations. - iteration 88: trace = 5.548117726415593 (5.42991e-08% change) - linmin: converged after 15 iterations. - iteration 89: trace = 5.548117725588878 (1.49008e-08% change) + iteration 85: trace = 5.548117802013626 (1.90816e-06% change) linmin: converged after 2 iterations. - iteration 90: trace = 5.548117725372818 (3.89429e-09% change) - linmin: converged after 6 iterations. - iteration 91: trace = 5.548117725334787 (6.85474e-10% change) - linmin: converged after 15 iterations. - iteration 92: trace = 5.548117725327039 (1.39659e-10% change) + iteration 86: trace = 5.548117741685511 (1.08736e-06% change) linmin: converged after 3 iterations. - iteration 93: trace = 5.548117725324989 (3.6948e-11% change) + iteration 87: trace = 5.548117729427814 (2.20934e-07% change) + linmin: converged after 3 iterations. + iteration 88: trace = 5.548117726415516 (5.42941e-08% change) + linmin: converged after 8 iterations. + iteration 89: trace = 5.548117725588876 (1.48995e-08% change) + linmin: converged after 2 iterations. + iteration 90: trace = 5.548117725372837 (3.89391e-09% change) + linmin: converged after 4 iterations. + iteration 91: trace = 5.548117725334806 (6.85474e-10% change) + linmin: converged after 7 iterations. + iteration 92: trace = 5.548117725327044 (1.399e-10% change) + linmin: converged after 2 iterations. + iteration 93: trace = 5.548117725324987 (3.7076e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2686779499053955 +elapsed time for k point: 1.5237693786621094 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> -Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> +Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855879 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.3758466243743896 +total elapsed time for run: 18.295397520065308 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -84862,7 +84793,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016818046569824219 +elapsed time for initialization: 0.006742238998413086 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -84973,7 +84904,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.15395903587341309 +elapsed time for k point: 1.05678391456604 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85224,7 +85155,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.4473836421966553 +elapsed time for k point: 1.5011210441589355 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85281,7 +85212,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.5447862148284912 +elapsed time for k point: 0.16238856315612793 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85334,7 +85265,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.2703416347503662 +elapsed time for k point: 0.15883421897888184 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85395,7 +85326,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.10133814811706543 +elapsed time for k point: 0.2108614444732666 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85488,7 +85419,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1576094627380371 +elapsed time for k point: 0.3896520137786865 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85559,7 +85490,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.25415802001953125 +elapsed time for k point: 0.3780217170715332 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85620,7 +85551,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10153460502624512 +elapsed time for k point: 4.585536241531372 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85673,7 +85604,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08718991279602051 +elapsed time for k point: 0.2213575839996338 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85725,7 +85656,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.08378911018371582 +elapsed time for k point: 0.5224893093109131 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85777,7 +85708,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.08333134651184082 +elapsed time for k point: 0.5538077354431152 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85818,7 +85749,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.35900044441223145 +elapsed time for k point: 0.21888422966003418 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85865,7 +85796,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.5319685935974121 +elapsed time for k point: 0.2241826057434082 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85928,7 +85859,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.10484862327575684 +elapsed time for k point: 0.3638279438018799 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86001,7 +85932,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.4001758098602295 +elapsed time for k point: 0.35483551025390625 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -86196,7 +86127,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.28752756118774414 +.elapsed time for k point: 0.8153276443481445 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -86208,11 +86139,11 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 3.9719340801239014 +total elapsed time for run: 11.726846694946289 done -/tmp/meepj2xd8H/test_set_eigenvectors-0: 8.58s +/tmp/meepaT3ehl/test_set_eigenvectors-0: 39.33s -/tmp/meepj2xd8H/test_sq_rods-0 +/tmp/meepaT3ehl/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -86255,7 +86186,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0017147064208984375 +elapsed time for initialization: 0.0032110214233398438 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -86354,7 +86285,7 @@ iteration 46: trace = 5.62886416901306 (5.91397e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 -elapsed time for k point: 0.13496947288513184 +elapsed time for k point: 0.3714768886566162 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86633,7 +86564,7 @@ iteration 134: trace = 5.638515195759914 (7.1262e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 -elapsed time for k point: 0.5027408599853516 +elapsed time for k point: 2.8204991817474365 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86692,7 +86623,7 @@ iteration 27: trace = 5.59517927181656 (4.68442e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 -elapsed time for k point: 0.10143828392028809 +elapsed time for k point: 0.19339895248413086 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86741,7 +86672,7 @@ iteration 22: trace = 5.577903304673051 (5.95367e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 -elapsed time for k point: 0.08418989181518555 +elapsed time for k point: 0.28234267234802246 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86800,7 +86731,7 @@ iteration 27: trace = 5.594031416858376 (7.94656e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 -elapsed time for k point: 0.10355782508850098 +elapsed time for k point: 1.278550148010254 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86903,7 +86834,7 @@ iteration 48: trace = 5.637414337940067 (7.79403e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 -elapsed time for k point: 0.17247533798217773 +elapsed time for k point: 0.379364013671875 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86974,7 +86905,7 @@ iteration 33: trace = 5.518941371312554 (7.71351e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 -elapsed time for k point: 0.12416648864746094 +elapsed time for k point: 0.23822021484375 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87033,7 +86964,7 @@ iteration 27: trace = 5.342524465514539 (5.98157e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 -elapsed time for k point: 0.1012575626373291 +elapsed time for k point: 0.3650045394897461 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87084,7 +87015,7 @@ iteration 23: trace = 5.199556238067974 (9.55215e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 -elapsed time for k point: 0.3520493507385254 +elapsed time for k point: 0.2940404415130615 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87136,7 +87067,7 @@ iteration 23: trace = 5.11008677019096 (3.55439e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 -elapsed time for k point: 0.09250831604003906 +elapsed time for k point: 0.47360754013061523 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87186,7 +87117,7 @@ iteration 22: trace = 5.079827770073009 (8.13026e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 -elapsed time for k point: 0.08693051338195801 +elapsed time for k point: 0.33055663108825684 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87227,7 +87158,7 @@ iteration 18: trace = 5.139784911490274 (2.67329e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 -elapsed time for k point: 0.06821179389953613 +elapsed time for k point: 0.4972829818725586 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87272,7 +87203,7 @@ iteration 20: trace = 5.307924174329596 (7.08143e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 -elapsed time for k point: 0.07573437690734863 +elapsed time for k point: 0.36199116706848145 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87329,7 +87260,7 @@ iteration 26: trace = 5.515690777956149 (3.99993e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 -elapsed time for k point: 0.0970301628112793 +elapsed time for k point: 0.3361194133758545 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87404,7 +87335,7 @@ iteration 35: trace = 5.620307970788173 (8.51309e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 -elapsed time for k point: 0.13061308860778809 +elapsed time for k point: 0.4673423767089844 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -87582,7 +87513,7 @@ iteration 85: trace = 5.628864169011921 (5.72147e-11% change) Finished solving for bands 2 to 8 after 85 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 -elapsed time for k point: 0.25148963928222656 +elapsed time for k point: 5.377504825592041 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219023 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067406 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519601 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470328 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911944 at Vector3<0.0, 0.0, 0.0> @@ -87594,7 +87525,7 @@ Gap from band 2 (0.5943440245519601) to band 3 (0.5943566394470328), 0.0021224679105015963% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339196), 1.586071064729319% Gap from band 7 (1.0958021492221042) to band 8 (1.0974168095854093), 0.1472411458802152% -total elapsed time for run: 2.482529640197754 +total elapsed time for run: 14.076398134231567 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -87636,7 +87567,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0022606849670410156 +elapsed time for initialization: 0.0027358531951904297 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -87713,7 +87644,7 @@ iteration 35: trace = 4.483798274693346 (8.41272e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 -elapsed time for k point: 0.1198115348815918 +elapsed time for k point: 0.27689623832702637 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87772,7 +87703,7 @@ iteration 27: trace = 4.398155533647458 (5.76144e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 -elapsed time for k point: 0.10889148712158203 +elapsed time for k point: 0.3330366611480713 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87803,7 +87734,7 @@ iteration 13: trace = 4.314465855715582 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 -elapsed time for k point: 0.05208706855773926 +elapsed time for k point: 0.09525728225708008 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87834,7 +87765,7 @@ iteration 13: trace = 4.256363888498331 (1.20194e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 -elapsed time for k point: 0.04825949668884277 +elapsed time for k point: 0.19340109825134277 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87865,7 +87796,7 @@ iteration 13: trace = 4.22609532442957 (1.06974e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 -elapsed time for k point: 0.048665761947631836 +elapsed time for k point: 0.07788228988647461 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87898,7 +87829,7 @@ iteration 14: trace = 4.217772179352384 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 -elapsed time for k point: 0.06314563751220703 +elapsed time for k point: 0.24023866653442383 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87925,7 +87856,7 @@ iteration 11: trace = 4.205423828027401 (3.81847e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 -elapsed time for k point: 0.05184149742126465 +elapsed time for k point: 0.07227611541748047 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87954,7 +87885,7 @@ iteration 12: trace = 4.182592281022643 (3.10033e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 -elapsed time for k point: 0.048981666564941406 +elapsed time for k point: 0.07543158531188965 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87983,7 +87914,7 @@ iteration 12: trace = 4.167811239279436 (1.56845e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 -elapsed time for k point: 0.0450439453125 +elapsed time for k point: 0.06318163871765137 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88016,7 +87947,7 @@ iteration 14: trace = 4.169023318668046 (1.88116e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 -elapsed time for k point: 0.05263686180114746 +elapsed time for k point: 0.07454299926757812 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88051,7 +87982,7 @@ iteration 15: trace = 4.178672965088609 (1.76204e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 -elapsed time for k point: 0.06367301940917969 +elapsed time for k point: 0.12333083152770996 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88090,7 +88021,7 @@ iteration 17: trace = 4.141012578035558 (3.4682e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 -elapsed time for k point: 0.06473660469055176 +elapsed time for k point: 0.10589075088500977 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88119,7 +88050,7 @@ iteration 12: trace = 4.141330405700032 (2.93605e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 -elapsed time for k point: 0.050379037857055664 +elapsed time for k point: 0.28019189834594727 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88148,7 +88079,7 @@ iteration 12: trace = 4.213521375941403 (1.82335e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 -elapsed time for k point: 0.04694867134094238 +elapsed time for k point: 0.07501339912414551 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88179,7 +88110,7 @@ iteration 13: trace = 4.345426086018987 (7.15379e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 -elapsed time for k point: 0.048761844635009766 +elapsed time for k point: 0.07981610298156738 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -88312,7 +88243,7 @@ iteration 59: trace = 4.4837980241564 (6.18425e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 -.elapsed time for k point: 0.18793988227844238 +.elapsed time for k point: 0.7242810726165771 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965465 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975067 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831275 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.502983097836598 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128122 at Vector3<0.5, 0.0, 0.0> @@ -88323,11 +88254,11 @@ Band 8 range: 0.8929933495598105 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093328 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965465) to band 2 (0.42065733839975067), 38.1428228954776% Gap from band 4 (0.720091820456399) to band 5 (0.7472029910480827), 3.695395142014508% -total elapsed time for run: 1.105578899383545 +total elapsed time for run: 2.895400047302246 done -/tmp/meepj2xd8H/test_sq_rods-0: 3.59s +/tmp/meepaT3ehl/test_sq_rods-0: 16.98s -/tmp/meepj2xd8H/test_strip-0 +/tmp/meepaT3ehl/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance @@ -88369,7 +88300,7 @@ Vector3<2.42, 0.0, 0.0> Vector3<2.71, 0.0, 0.0> Vector3<3.0, 0.0, 0.0> -elapsed time for initialization: 0.005060672760009766 +elapsed time for initialization: 0.008427619934082031 solve_kpoint (0.1,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4 Solving for bands 1 to 4... @@ -88458,7 +88389,7 @@ iteration 41: trace = 0.2686493130629787 (6.31463e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 -elapsed time for k point: 0.26058077812194824 +elapsed time for k point: 1.0919506549835205 zparity:, 1, 0.9918457643228179, -0.9993165778921195, 0.9263952713814154, 0.7342879854782446 yparity:, 1, -0.9999999941669406, 0.9999999948774738, 0.9999993171394717, -0.999990344073027 solve_kpoint (0.39,0,0): @@ -88525,7 +88456,7 @@ iteration 30: trace = 0.6068839394817219 (4.76005e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 -elapsed time for k point: 0.1740739345550537 +elapsed time for k point: 4.663678169250488 zparity:, 2, 0.8497976290471405, -0.8562083115818881, 0.6135047144631055, 0.704049364345392 yparity:, 2, -0.9999999782411441, 0.9999997901628067, 1.0000058683415471, -0.9999353452681622 solve_kpoint (0.68,0,0): @@ -88598,7 +88529,7 @@ iteration 33: trace = 1.207704486916822 (5.62602e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 -elapsed time for k point: 0.20846772193908691 +elapsed time for k point: 0.8999302387237549 zparity:, 3, 0.6430471097763378, -0.5132970564866739, 0.749333227900428, -0.5174581393558557 yparity:, 3, -1.0000092437102697, 0.9999867307863303, -0.9999773484878274, 0.999973952733607 solve_kpoint (0.97,0,0): @@ -88661,7 +88592,7 @@ iteration 28: trace = 1.883192742813693 (5.87421e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 -elapsed time for k point: 0.16163420677185059 +elapsed time for k point: 1.175586462020874 zparity:, 4, 0.9505599456722603, -0.7953782494253178, 0.29095932960240484, -0.2599400191575976 yparity:, 4, -0.9999756485608305, 0.9999734198097727, -0.9999951573073894, 1.0000024021439267 solve_kpoint (1.26,0,0): @@ -88774,7 +88705,7 @@ iteration 53: trace = 2.604105949809355 (7.30057e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 -elapsed time for k point: 0.32271814346313477 +elapsed time for k point: 1.1833860874176025 zparity:, 5, 0.989433203648185, -0.941034559794807, -0.9057097520615617, 0.12590511638581192 yparity:, 5, -0.9999341958047732, 0.9999920496324087, -0.9999957145769162, 1.000021444719625 solve_kpoint (1.55,0,0): @@ -88839,7 +88770,7 @@ iteration 29: trace = 3.170970083323875 (9.73196e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 -elapsed time for k point: 0.18264150619506836 +elapsed time for k point: 0.3204538822174072 zparity:, 6, 0.9953267395054749, -0.9730766670048566, -0.9862479112199617, 0.7878496622990012 yparity:, 6, -0.9999079119736324, 0.9999964725104156, -1.0000003774905901, 1.0001762821171216 solve_kpoint (1.84,0,0): @@ -88912,7 +88843,7 @@ iteration 32: trace = 3.666115155387478 (3.66792e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 -elapsed time for k point: 0.22426795959472656 +elapsed time for k point: 0.9211595058441162 zparity:, 7, 0.9973241081198855, -0.9843536270515871, -0.9920656947486447, 0.9432892229032792 yparity:, 7, -0.9998843493066418, 0.9999987176028815, -1.000004228955011, 1.0002512950943228 solve_kpoint (2.13,0,0): @@ -89146,7 +89077,7 @@ iteration 111: trace = 4.142245065134212 (5.82578e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 -elapsed time for k point: 1.8215923309326172 +elapsed time for k point: 5.893887281417847 zparity:, 8, 0.9982486290504695, -0.9895791222995164, -0.994248025412605, -0.9858374395349168 yparity:, 8, -0.9998633635883192, 1.0000002772667547, -1.0000094946113083, -0.999844607741168 solve_kpoint (2.42,0,0): @@ -89197,7 +89128,7 @@ iteration 22: trace = 4.658682156001969 (6.48973e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 -elapsed time for k point: 1.3811569213867188 +elapsed time for k point: 0.40747857093811035 zparity:, 9, 0.9987530861904907, -0.992422557413354, -0.9954159207907912, -0.9908510257241977 yparity:, 9, -0.9998459146893185, 1.000001510036809, -1.0000160082783394, -0.999840967114548 solve_kpoint (2.71,0,0): @@ -89236,7 +89167,7 @@ iteration 16: trace = 5.225821941816028 (8.96027e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 -elapsed time for k point: 0.28356218338012695 +elapsed time for k point: 0.20795893669128418 zparity:, 10, 0.9990584518844122, -0.994138505459672, -0.9961444762112268, -0.9934909746544547 yparity:, 10, -0.9998332718977178, 1.0000025246212318, -1.0000230923335942, -0.999834812138767 solve_kpoint (3,0,0): @@ -89275,18 +89206,18 @@ iteration 16: trace = 5.844970311254003 (6.85626e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 -Felapsed time for k point: 0.0931551456451416 +Felapsed time for k point: 0.26369333267211914 zparity:, 11, 0.9992573509363805, -0.9952507980579985, -0.9966396089669408, -0.9950905165812846 yparity:, 11, -0.9998264814151204, 1.000003358403511, -1.0000301573652728, -0.9998331550674042 Band 1 range: 0.080758205340476 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106418 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.08557653550125252 at Vector3<0.1, 0.0, 0.0> to 1.10428530979045 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800330991 at Vector3<0.1, 0.0, 0.0> to 1.276928808773857 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568936 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201518 at Vector3<3.0, 0.0, 0.0> -total elapsed time for run: 5.1212241649627686 +total elapsed time for run: 17.049358367919922 done -/tmp/meepj2xd8H/test_strip-0: 5.12s +/tmp/meepaT3ehl/test_strip-0: 17.05s -/tmp/meepj2xd8H/test_subpixel_averaging-0 +/tmp/meepaT3ehl/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -89329,7 +89260,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0017616748809814453 +elapsed time for initialization: 0.002513885498046875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -89440,7 +89371,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.31732821464538574 +elapsed time for k point: 0.3954041004180908 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89691,7 +89622,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.8910439014434814 +elapsed time for k point: 1.1756236553192139 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89748,7 +89679,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.11117672920227051 +elapsed time for k point: 0.1785144805908203 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89801,7 +89732,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.09879374504089355 +elapsed time for k point: 2.033393621444702 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89862,7 +89793,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.11704421043395996 +elapsed time for k point: 0.4753868579864502 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89955,7 +89886,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.17426824569702148 +elapsed time for k point: 0.6365447044372559 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -90026,7 +89957,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.1302940845489502 +elapsed time for k point: 0.2818429470062256 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90087,7 +90018,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.10944175720214844 +elapsed time for k point: 0.3847157955169678 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90140,7 +90071,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.09537506103515625 +elapsed time for k point: 0.20136141777038574 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90192,7 +90123,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.09104394912719727 +elapsed time for k point: 0.2129213809967041 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90244,7 +90175,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.0916900634765625 +elapsed time for k point: 0.44431471824645996 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90285,7 +90216,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.08465957641601562 +elapsed time for k point: 0.20843863487243652 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90332,7 +90263,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.08011078834533691 +elapsed time for k point: 0.15985512733459473 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90395,7 +90326,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.11097073554992676 +elapsed time for k point: 0.3758573532104492 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90468,7 +90399,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.14765572547912598 +elapsed time for k point: 0.4531991481781006 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -90663,7 +90594,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2688868045806885 +elapsed time for k point: 1.04384446144104 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -90675,13 +90606,13 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 2.923044204711914 +total elapsed time for run: 8.665934801101685 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepj2xd8H/test_subpixel_averaging-0-epsilon.h5... -/tmp/meepj2xd8H/test_subpixel_averaging-0: 2.94s +.Outputting /tmp/meepaT3ehl/test_subpixel_averaging-0-epsilon.h5... +/tmp/meepaT3ehl/test_subpixel_averaging-0: 8.72s -/tmp/meepj2xd8H/test_symmetry_overlap-0 +/tmp/meepaT3ehl/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90709,7 +90640,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> -elapsed time for initialization: 0.0547332763671875 +elapsed time for initialization: 0.17628192901611328 solve_kpoint (0.5,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6 Solving for bands 1 to 6... @@ -90770,8 +90701,8 @@ iteration 27: trace = 2.04033564540094 (3.53907e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 -elapsed time for k point: 2.652733325958252 -total elapsed time for run: 2.7075817584991455 +elapsed time for k point: 11.896648645401001 +total elapsed time for run: 12.073094129562378 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90798,7 +90729,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.05245018005371094 +elapsed time for initialization: 2.282032012939453 solve_kpoint (0,0,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6 Solving for bands 2 to 6... @@ -90981,8 +90912,8 @@ iteration 87: trace = 2.470085654421001 (7.5115e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 -elapsed time for k point: 6.867513418197632 -total elapsed time for run: 6.920095682144165 +elapsed time for k point: 30.933830976486206 +total elapsed time for run: 33.21611547470093 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -91009,7 +90940,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.05260181427001953 +elapsed time for initialization: 0.08436846733093262 solve_kpoint (0,0,0): zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6 Solving for bands 2 to 6... @@ -91078,12 +91009,12 @@ iteration 31: trace = 2.293368820561557 (4.35304e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 -.elapsed time for k point: 2.305558443069458 -total elapsed time for run: 2.3583152294158936 +.elapsed time for k point: 8.388692140579224 +total elapsed time for run: 8.473258256912231 done -/tmp/meepj2xd8H/test_symmetry_overlap-0: 12.52s +/tmp/meepaT3ehl/test_symmetry_overlap-0: 54.77s -/tmp/meepj2xd8H/test_tri_holes-0 +/tmp/meepaT3ehl/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -91126,7 +91057,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.002705097198486328 +elapsed time for initialization: 0.06049633026123047 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -91248,7 +91179,7 @@ iteration 56: trace = 4.4519495133559 (5.70579e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 -elapsed time for k point: 0.15430808067321777 +elapsed time for k point: 0.6686000823974609 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91357,7 +91288,7 @@ iteration 51: trace = 4.458889461747202 (4.23085e-11% change) Finished solving for bands 1 to 8 after 51 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546 -elapsed time for k point: 0.18249011039733887 +elapsed time for k point: 0.7215750217437744 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91418,7 +91349,7 @@ iteration 28: trace = 4.481554639580309 (5.77116e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022 -elapsed time for k point: 0.10120820999145508 +elapsed time for k point: 0.3269212245941162 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91477,7 +91408,7 @@ iteration 27: trace = 4.534239367259119 (5.23006e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658 -elapsed time for k point: 0.09766912460327148 +elapsed time for k point: 0.7527632713317871 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91542,7 +91473,7 @@ iteration 30: trace = 4.607273350205851 (7.3988e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191 -elapsed time for k point: 0.10810017585754395 +elapsed time for k point: 0.44846534729003906 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91617,7 +91548,7 @@ iteration 35: trace = 4.654583747911477 (5.96497e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797 -elapsed time for k point: 0.12567687034606934 +elapsed time for k point: 0.4937288761138916 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91678,7 +91609,7 @@ iteration 28: trace = 4.657802402861526 (2.96898e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 -elapsed time for k point: 0.1008756160736084 +elapsed time for k point: 0.5251436233520508 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91745,7 +91676,7 @@ iteration 31: trace = 4.667096098888666 (7.49617e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 -elapsed time for k point: 0.11132979393005371 +elapsed time for k point: 0.43262481689453125 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91812,7 +91743,7 @@ iteration 31: trace = 4.681614604980838 (5.6137e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805 -elapsed time for k point: 0.1114816665649414 +elapsed time for k point: 0.29445934295654297 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91881,7 +91812,7 @@ iteration 32: trace = 4.699960544782284 (8.86296e-11% change) Finished solving for bands 1 to 8 after 32 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946 -elapsed time for k point: 0.11499476432800293 +elapsed time for k point: 4.166594505310059 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91996,7 +91927,7 @@ iteration 54: trace = 4.719164720216029 (5.81182e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 -elapsed time for k point: 0.19217848777770996 +elapsed time for k point: 1.7597911357879639 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92059,7 +91990,7 @@ iteration 29: trace = 4.653956804049409 (5.67188e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842 -elapsed time for k point: 0.10478568077087402 +elapsed time for k point: 0.476970911026001 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92116,7 +92047,7 @@ iteration 26: trace = 4.565737534032805 (6.5985e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032 -elapsed time for k point: 0.09382987022399902 +elapsed time for k point: 0.5351684093475342 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92171,7 +92102,7 @@ iteration 25: trace = 4.495299578884342 (5.1667e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567 -elapsed time for k point: 0.09017157554626465 +elapsed time for k point: 0.299116849899292 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92239,7 +92170,7 @@ iteration 31: trace = 4.4625699206614 (8.69157e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423 -elapsed time for k point: 0.11145401000976562 +elapsed time for k point: 0.8904032707214355 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -92468,7 +92399,7 @@ iteration 109: trace = 4.451949513352735 (8.8739e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 -elapsed time for k point: 0.29578256607055664 +elapsed time for k point: 3.93565034866333 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117479 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4924342823622071 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499382 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5269710506448816 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> @@ -92480,7 +92411,7 @@ Gap from band 1 (0.2993049473117479) to band 2 (0.4924342823622071), 48.786097192630336% Gap from band 5 (0.7988168792802606) to band 6 (0.8259787164701549), 3.343415905475733% Gap from band 7 (0.9834563303529569) to band 8 (0.9984200611839884), 1.5100569233207481% -total elapsed time for run: 2.1004745960235596 +total elapsed time for run: 16.790640830993652 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -92522,7 +92453,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.002704143524169922 +elapsed time for initialization: 0.008286237716674805 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -92591,7 +92522,7 @@ iteration 31: trace = 2.862490688618994 (4.54718e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 -elapsed time for k point: 0.08969879150390625 +elapsed time for k point: 0.4348421096801758 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92636,7 +92567,7 @@ iteration 20: trace = 2.835301328478703 (6.87286e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 -elapsed time for k point: 0.07300615310668945 +elapsed time for k point: 0.37649106979370117 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -92673,7 +92604,7 @@ iteration 16: trace = 2.795630871597669 (2.53209e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 -elapsed time for k point: 0.05851387977600098 +elapsed time for k point: 0.604386568069458 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -92706,7 +92637,7 @@ iteration 14: trace = 2.771565390381667 (1.5959e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 -elapsed time for k point: 0.0516657829284668 +elapsed time for k point: 0.33150672912597656 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92737,7 +92668,7 @@ iteration 13: trace = 2.764617094107781 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 -elapsed time for k point: 0.04919576644897461 +elapsed time for k point: 0.1811692714691162 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92772,7 +92703,7 @@ iteration 15: trace = 2.765514654374654 (5.35377e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 -elapsed time for k point: 0.058312416076660156 +elapsed time for k point: 0.38661956787109375 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92805,7 +92736,7 @@ iteration 14: trace = 2.76565609734263 (9.75962e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 -elapsed time for k point: 0.05414843559265137 +elapsed time for k point: 0.1583101749420166 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92840,7 +92771,7 @@ iteration 15: trace = 2.766440393053366 (2.33407e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 -elapsed time for k point: 0.05762338638305664 +elapsed time for k point: 0.2961573600769043 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92875,7 +92806,7 @@ iteration 15: trace = 2.768905996249786 (5.58779e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 -elapsed time for k point: 0.055629730224609375 +elapsed time for k point: 0.38777971267700195 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92912,7 +92843,7 @@ iteration 16: trace = 2.774529530826194 (2.4329e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 -elapsed time for k point: 0.0629739761352539 +elapsed time for k point: 0.23927569389343262 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92974,7 +92905,7 @@ iteration 27: trace = 2.78440413069857 (2.00003e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 -elapsed time for k point: 0.11054420471191406 +elapsed time for k point: 0.3864319324493408 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93009,7 +92940,7 @@ iteration 15: trace = 2.766275694185342 (1.16229e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 -elapsed time for k point: 0.07027411460876465 +elapsed time for k point: 0.49630093574523926 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -93040,7 +92971,7 @@ iteration 13: trace = 2.765766574968628 (1.10791e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 -elapsed time for k point: 0.052573442459106445 +elapsed time for k point: 0.1372065544128418 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93071,7 +93002,7 @@ iteration 13: trace = 2.786825446005419 (1.53616e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 -elapsed time for k point: 0.051422119140625 +elapsed time for k point: 0.1032705307006836 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -93112,7 +93043,7 @@ iteration 18: trace = 2.82927027988534 (1.612e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 -elapsed time for k point: 0.06979084014892578 +elapsed time for k point: 0.7900123596191406 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -93180,7 +93111,7 @@ iteration 31: trace = 2.862490688618609 (3.03921e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 -.elapsed time for k point: 0.09324455261230469 +.elapsed time for k point: 0.9198081493377686 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378436 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046681 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448607 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980536 at Vector3<0.0, 0.0, 0.0> @@ -93195,11 +93126,11 @@ Gap from band 4 (0.5808701365268188) to band 5 (0.581035246804371), 0.028420606345552785% Gap from band 5 (0.6824860801372994) to band 6 (0.6825317446715007), 0.006690686871827688% Gap from band 7 (0.7841042622393071) to band 8 (0.7980077872594095), 1.7575904341930328% -total elapsed time for run: 1.0625319480895996 +total elapsed time for run: 6.244035959243774 done -/tmp/meepj2xd8H/test_tri_holes-0: 3.16s +/tmp/meepaT3ehl/test_tri_holes-0: 23.16s -/tmp/meepj2xd8H/test_tri_rods-0 +/tmp/meepaT3ehl/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -93241,7 +93172,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0019259452819824219 +elapsed time for initialization: 0.012012481689453125 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -93296,7 +93227,7 @@ iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.06798219680786133 +elapsed time for k point: 0.2790803909301758 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93337,7 +93268,7 @@ iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.06634235382080078 +elapsed time for k point: 0.2315070629119873 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93372,7 +93303,7 @@ iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.05536842346191406 +elapsed time for k point: 0.20195508003234863 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93405,7 +93336,7 @@ iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.05205249786376953 +elapsed time for k point: 0.18195700645446777 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93423,171 +93354,167 @@ linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297111 (3.09852e-06% change) linmin: converged after 4 iterations. + switching to approximate line minimization (decrease time by 52.6048%) iteration 8: trace = 4.304069968915966 (3.57363e-07% change) - linmin: converged after 2 iterations. - iteration 9: trace = 4.304069965945501 (6.90153e-08% change) - linmin: converged after 2 iterations. + iteration 9: trace = 4.3040699659455 (6.90153e-08% change) iteration 10: trace = 4.304069964779024 (2.71017e-08% change) - linmin: converged after 2 iterations. - iteration 11: trace = 4.304069964479551 (6.95791e-09% change) - linmin: converged after 2 iterations. - iteration 12: trace = 4.304069964440697 (9.02712e-10% change) - linmin: converged after 15 iterations. - iteration 13: trace = 4.304069964437605 (7.18332e-11% change) + iteration 11: trace = 4.304069964479552 (6.95787e-09% change) + iteration 12: trace = 4.304069964440698 (9.02733e-10% change) + iteration 13: trace = 4.304069964437604 (7.18951e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.04849958419799805 +elapsed time for k point: 0.16942644119262695 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.287294007238569 (0.514399% change) + iteration 1: trace = 4.287294007238552 (0.514399% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.284124961328378 (0.0739445% change) + iteration 2: trace = 4.284124961328387 (0.0739445% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.283595116492505 (0.0123684% change) - linmin: converged after 5 iterations. - iteration 4: trace = 4.283502303118701 (0.00216674% change) + iteration 3: trace = 4.283595116492512 (0.0123684% change) linmin: converged after 5 iterations. - iteration 5: trace = 4.283478596024282 (0.000553453% change) - linmin: converged after 4 iterations. - iteration 6: trace = 4.283477154458746 (3.36541e-05% change) + iteration 4: trace = 4.283502303118704 (0.00216674% change) + linmin: converged after 6 iterations. + iteration 5: trace = 4.28347859602428 (0.000553453% change) + linmin: converged after 3 iterations. + iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. - iteration 7: trace = 4.283477077810691 (1.78939e-06% change) + iteration 7: trace = 4.283477077810689 (1.78939e-06% change) linmin: converged after 2 iterations. - iteration 8: trace = 4.283477070330028 (1.7464e-07% change) + iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) + linmin: converged after 3 iterations. + iteration 10: trace = 4.283477065770439 (2.44516e-08% change) linmin: converged after 2 iterations. - iteration 10: trace = 4.283477065770438 (2.44516e-08% change) - linmin: converged after 2 iterations. - iteration 11: trace = 4.283477065633829 (3.18919e-09% change) - linmin: converged after 4 iterations. - iteration 12: trace = 4.283477065618206 (3.64749e-10% change) - linmin: converged after 7 iterations. - iteration 13: trace = 4.283477065616429 (4.147e-11% change) + iteration 11: trace = 4.283477065633832 (3.18917e-09% change) + linmin: converged after 3 iterations. + iteration 12: trace = 4.283477065618206 (3.64791e-10% change) + linmin: converged after 3 iterations. + iteration 13: trace = 4.283477065616427 (4.15322e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.04838991165161133 +elapsed time for k point: 0.17029452323913574 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.276566747825642 (0.530593% change) + iteration 1: trace = 4.276566747825643 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. - iteration 3: trace = 4.264882331994833 (0.0463154% change) + iteration 3: trace = 4.264882331994835 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) - linmin: converged after 4 iterations. - iteration 5: trace = 4.26448873054892 (0.00140058% change) linmin: converged after 5 iterations. - iteration 6: trace = 4.264476449097828 (0.000287994% change) + iteration 5: trace = 4.26448873054892 (0.00140058% change) + linmin: converged after 4 iterations. + iteration 6: trace = 4.264476449097836 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. - iteration 8: trace = 4.264474642738402 (3.26988e-06% change) - linmin: converged after 2 iterations. - iteration 9: trace = 4.264474631967129 (2.52581e-07% change) + iteration 8: trace = 4.264474642738404 (3.26988e-06% change) linmin: converged after 2 iterations. - iteration 10: trace = 4.264474631257338 (1.66443e-08% change) + iteration 9: trace = 4.264474631967129 (2.52582e-07% change) + linmin: converged after 4 iterations. + iteration 10: trace = 4.264474631257336 (1.66443e-08% change) linmin: converged after 2 iterations. - iteration 11: trace = 4.264474631203496 (1.26258e-09% change) + iteration 11: trace = 4.264474631203497 (1.26249e-09% change) linmin: converged after 4 iterations. - iteration 12: trace = 4.264474631199774 (8.72667e-11% change) + iteration 12: trace = 4.264474631199772 (8.735e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.04480123519897461 +elapsed time for k point: 3.5305418968200684 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.232489072565435 (0.358169% change) + iteration 1: trace = 4.23248907256543 (0.358169% change) linmin: converged after 5 iterations. - iteration 2: trace = 4.229105412374738 (0.0799769% change) + iteration 2: trace = 4.229105412374736 (0.0799769% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.228655882204028 (0.01063% change) - linmin: converged after 6 iterations. - iteration 4: trace = 4.228604967100097 (0.00120406% change) + iteration 3: trace = 4.228655882204027 (0.01063% change) linmin: converged after 5 iterations. - iteration 5: trace = 4.228597156343838 (0.000184713% change) - linmin: converged after 4 iterations. + iteration 4: trace = 4.228604967100096 (0.00120406% change) + linmin: converged after 6 iterations. + iteration 5: trace = 4.228597156343836 (0.000184713% change) + linmin: converged after 7 iterations. iteration 6: trace = 4.228595847507816 (3.0952e-05% change) linmin: converged after 2 iterations. - iteration 7: trace = 4.228595668484545 (4.23363e-06% change) - linmin: converged after 2 iterations. - iteration 8: trace = 4.22859565366972 (3.50349e-07% change) + iteration 7: trace = 4.228595668484536 (4.23363e-06% change) linmin: converged after 2 iterations. - iteration 9: trace = 4.228595652361877 (3.09285e-08% change) - linmin: converged after 3 iterations. - iteration 10: trace = 4.2285956522714 (2.13965e-09% change) + iteration 8: trace = 4.228595653669715 (3.50348e-07% change) linmin: converged after 2 iterations. - iteration 11: trace = 4.228595652264813 (1.55766e-10% change) + iteration 9: trace = 4.228595652361873 (3.09285e-08% change) linmin: converged after 2 iterations. - iteration 12: trace = 4.228595652264468 (8.17059e-12% change) + iteration 10: trace = 4.2285956522714 (2.13956e-09% change) + linmin: converged after 3 iterations. + iteration 11: trace = 4.22859565226481 (1.5585e-10% change) + linmin: converged after 5 iterations. + iteration 12: trace = 4.228595652264473 (7.96055e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.044708251953125 +elapsed time for k point: 0.0791771411895752 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.198038763849336 (0.248355% change) + iteration 1: trace = 4.1980387638505 (0.248355% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.19670478415921 (0.0317813% change) - linmin: converged after 4 iterations. - iteration 3: trace = 4.196585228731932 (0.00284883% change) + iteration 2: trace = 4.196704784159328 (0.0317813% change) linmin: converged after 5 iterations. - iteration 4: trace = 4.196578318037075 (0.000164674% change) - linmin: converged after 11 iterations. - iteration 5: trace = 4.196577861660904 (1.0875e-05% change) - linmin: converged after 3 iterations. - iteration 6: trace = 4.196577824465233 (8.86333e-07% change) - linmin: converged after 4 iterations. - iteration 7: trace = 4.196577821831923 (6.2749e-08% change) + iteration 3: trace = 4.196585228731947 (0.00284883% change) + linmin: converged after 5 iterations. + iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 2 iterations. - iteration 8: trace = 4.196577821279777 (1.31571e-08% change) - linmin: converged after 4 iterations. - iteration 9: trace = 4.196577821233545 (1.10167e-09% change) + iteration 5: trace = 4.196577861660908 (1.0875e-05% change) + linmin: converged after 8 iterations. + iteration 6: trace = 4.196577824465234 (8.86333e-07% change) + linmin: converged after 13 iterations. + iteration 7: trace = 4.196577821831922 (6.2749e-08% change) linmin: converged after 2 iterations. - iteration 10: trace = 4.19657782122971 (9.13665e-11% change) + iteration 8: trace = 4.19657782127978 (1.3157e-08% change) + linmin: converged after 4 iterations. + iteration 9: trace = 4.196577821233548 (1.10165e-09% change) + linmin: converged after 3 iterations. + iteration 10: trace = 4.196577821229711 (9.143e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.03782296180725098 +elapsed time for k point: 0.27101898193359375 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.176560952862092 (0.20622% change) - linmin: converged after 4 iterations. - iteration 2: trace = 4.175731928735225 (0.0198514% change) + iteration 1: trace = 4.176560952862475 (0.20622% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.175658188677833 (0.00176593% change) - linmin: converged after 4 iterations. - iteration 4: trace = 4.175652343488816 (0.000139983% change) + iteration 2: trace = 4.17573192873522 (0.0198514% change) + linmin: converged after 9 iterations. + iteration 3: trace = 4.175658188677828 (0.00176593% change) + linmin: converged after 6 iterations. + iteration 4: trace = 4.175652343488815 (0.000139983% change) linmin: converged after 2 iterations. - iteration 5: trace = 4.175651823639798 (1.24495e-05% change) + iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.175651765087073 (1.40224e-06% change) - linmin: converged after 3 iterations. - iteration 7: trace = 4.175651761832766 (7.79353e-08% change) + iteration 6: trace = 4.175651765087069 (1.40224e-06% change) + linmin: converged after 27 iterations. + iteration 7: trace = 4.175651761832765 (7.79352e-08% change) linmin: converged after 2 iterations. - iteration 8: trace = 4.175651761361387 (1.12888e-08% change) - linmin: converged after 4 iterations. - iteration 9: trace = 4.175651761335724 (6.14587e-10% change) + iteration 8: trace = 4.175651761361387 (1.12887e-08% change) + linmin: converged after 2 iterations. + iteration 9: trace = 4.175651761335719 (6.14694e-10% change) linmin: converged after 4 iterations. - iteration 10: trace = 4.17565176133351 (5.30059e-11% change) + iteration 10: trace = 4.17565176133351 (5.28995e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.03769826889038086 +elapsed time for k point: 0.270505428314209 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.169192632974824 (0.188262% change) + iteration 1: trace = 4.169192632974865 (0.188262% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.168494135847979 (0.0167552% change) + iteration 2: trace = 4.168494135847981 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223788 (0.00180428% change) linmin: converged after 5 iterations. - iteration 4: trace = 4.16841215172734 (0.000162496% change) + iteration 4: trace = 4.168412151727339 (0.000162496% change) linmin: converged after 2 iterations. - iteration 5: trace = 4.168411725528161 (1.02245e-05% change) + iteration 5: trace = 4.168411725528162 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. @@ -93595,203 +93522,203 @@ linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31558e-10% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.168411689609144 (8.90221e-11% change) + iteration 9: trace = 4.168411689609142 (8.90648e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.034208059310913086 +elapsed time for k point: 0.1202077865600586 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 -Outputting fields to /tmp/meepj2xd8H/test_tri_rods-0-e.k11.b01.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 -Outputting fields to /tmp/meepj2xd8H/test_tri_rods-0-e.k11.b02.z.tm.h5... -Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953 -Outputting fields to /tmp/meepj2xd8H/test_tri_rods-0-e.k11.b03.z.tm.h5... -Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657 -Outputting fields to /tmp/meepj2xd8H/test_tri_rods-0-e.k11.b04.z.tm.h5... -Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168 -Outputting fields to /tmp/meepj2xd8H/test_tri_rods-0-e.k11.b05.z.tm.h5... -Fixing e-field (band 6) phase by -1 + 4.11949e-08i; max ampl. = 1.76186 -Outputting fields to /tmp/meepj2xd8H/test_tri_rods-0-e.k11.b06.z.tm.h5... -Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881 -Outputting fields to /tmp/meepj2xd8H/test_tri_rods-0-e.k11.b07.z.tm.h5... -Fixing e-field (band 8) phase by -1 + 4.11947e-08i; max ampl. = 1.08096 -Outputting fields to /tmp/meepj2xd8H/test_tri_rods-0-e.k11.b08.z.tm.h5... +Outputting fields to /tmp/meepaT3ehl/test_tri_rods-0-e.k11.b02.z.tm.h5... +Fixing e-field (band 3) phase by 1 + -4.11948e-08i; max ampl. = 0.877953 +Outputting fields to /tmp/meepaT3ehl/test_tri_rods-0-e.k11.b03.z.tm.h5... +Fixing e-field (band 4) phase by 1 + -4.11949e-08i; max ampl. = 1.24657 +Outputting fields to /tmp/meepaT3ehl/test_tri_rods-0-e.k11.b04.z.tm.h5... +Fixing e-field (band 5) phase by 4.11948e-08 + 1i; max ampl. = 1.10168 +Outputting fields to /tmp/meepaT3ehl/test_tri_rods-0-e.k11.b05.z.tm.h5... +Fixing e-field (band 6) phase by -1 + 4.11946e-08i; max ampl. = 1.76186 +Outputting fields to /tmp/meepaT3ehl/test_tri_rods-0-e.k11.b06.z.tm.h5... +Fixing e-field (band 7) phase by -1 + 4.11948e-08i; max ampl. = 1.0881 +Outputting fields to /tmp/meepaT3ehl/test_tri_rods-0-e.k11.b07.z.tm.h5... +Fixing e-field (band 8) phase by -1 + 4.11948e-08i; max ampl. = 1.08096 +Outputting fields to /tmp/meepaT3ehl/test_tri_rods-0-e.k11.b08.z.tm.h5... solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.201218407861227 (0.720819% change) + iteration 1: trace = 4.201218407861228 (0.720819% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.198256255957316 (0.0705318% change) + iteration 2: trace = 4.198256255957314 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) - linmin: converged after 5 iterations. - iteration 4: trace = 4.197857649510745 (0.000784095% change) - linmin: converged after 5 iterations. - iteration 5: trace = 4.197854429378013 (7.6709e-05% change) - linmin: converged after 2 iterations. - iteration 6: trace = 4.197854075525584 (8.42936e-06% change) linmin: converged after 6 iterations. - iteration 7: trace = 4.197854052380286 (5.5136e-07% change) - linmin: converged after 2 iterations. - iteration 8: trace = 4.19785405041534 (4.68084e-08% change) + iteration 4: trace = 4.197857649510744 (0.000784095% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.197854050317016 (2.34224e-09% change) + iteration 5: trace = 4.19785442937801 (7.6709e-05% change) + linmin: converged after 2 iterations. + iteration 6: trace = 4.197854075525583 (8.42936e-06% change) linmin: converged after 3 iterations. - iteration 10: trace = 4.197854050309862 (1.70427e-10% change) + iteration 7: trace = 4.197854052380288 (5.5136e-07% change) linmin: converged after 2 iterations. - iteration 11: trace = 4.197854050309301 (1.33506e-11% change) + iteration 8: trace = 4.19785405041534 (4.68084e-08% change) + linmin: converged after 3 iterations. + iteration 9: trace = 4.197854050317016 (2.34224e-09% change) + linmin: converged after 4 iterations. + iteration 10: trace = 4.197854050309859 (1.7049e-10% change) + linmin: converged after 8 iterations. + iteration 11: trace = 4.197854050309298 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.04150724411010742 +elapsed time for k point: 0.2450859546661377 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338975 (0.732668% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.283958408011071 (0.099977% change) + iteration 2: trace = 4.28395840801107 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) - linmin: converged after 6 iterations. - iteration 4: trace = 4.28328143883801 (0.00210466% change) - linmin: converged after 6 iterations. - iteration 5: trace = 4.283267824693607 (0.000317844% change) - linmin: converged after 13 iterations. - iteration 6: trace = 4.283266579370459 (2.90741e-05% change) + linmin: converged after 19 iterations. + iteration 4: trace = 4.283281438838006 (0.00210466% change) + linmin: converged after 4 iterations. + iteration 5: trace = 4.283267824693606 (0.000317844% change) linmin: converged after 3 iterations. - iteration 7: trace = 4.283266497834244 (1.9036e-06% change) + iteration 6: trace = 4.283266579370459 (2.90741e-05% change) + linmin: converged after 4 iterations. + iteration 7: trace = 4.283266497834249 (1.9036e-06% change) linmin: converged after 2 iterations. - iteration 8: trace = 4.283266490102648 (1.80507e-07% change) + iteration 8: trace = 4.283266490102652 (1.80507e-07% change) linmin: converged after 2 iterations. - iteration 9: trace = 4.28326648909319 (2.35675e-08% change) + iteration 9: trace = 4.283266489093188 (2.35676e-08% change) linmin: converged after 4 iterations. - iteration 10: trace = 4.283266489000648 (2.16055e-09% change) - linmin: converged after 5 iterations. - iteration 11: trace = 4.28326648899116 (2.21523e-10% change) - linmin: converged after 15 iterations. - iteration 12: trace = 4.283266488990682 (1.1156e-11% change) + iteration 10: trace = 4.283266489000646 (2.16057e-09% change) + linmin: converged after 4 iterations. + iteration 11: trace = 4.283266488991159 (2.21481e-10% change) + linmin: converged after 2 iterations. + iteration 12: trace = 4.283266488990685 (1.1073e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.04500412940979004 +elapsed time for k point: 0.09543728828430176 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.420129679059331 (0.818903% change) + iteration 1: trace = 4.420129679060175 (0.818903% change) linmin: converged after 5 iterations. - iteration 2: trace = 4.412260674164541 (0.178185% change) + iteration 2: trace = 4.412260674164769 (0.178185% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.410633634426008 (0.0368822% change) - linmin: converged after 4 iterations. - iteration 4: trace = 4.410197926814329 (0.00987906% change) + iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.410114427040234 (0.00189335% change) - linmin: converged after 6 iterations. - iteration 6: trace = 4.410103889016637 (0.000238952% change) + iteration 4: trace = 4.410197926814341 (0.00987906% change) + linmin: converged after 5 iterations. + iteration 5: trace = 4.410114427040231 (0.00189335% change) linmin: converged after 5 iterations. + iteration 6: trace = 4.410103889016638 (0.000238952% change) + linmin: converged after 6 iterations. iteration 7: trace = 4.410102421711944 (3.32714e-05% change) linmin: converged after 2 iterations. - iteration 8: trace = 4.410102293698953 (2.90272e-06% change) - linmin: converged after 4 iterations. + iteration 8: trace = 4.410102293698951 (2.90272e-06% change) + linmin: converged after 26 iterations. iteration 9: trace = 4.410102277309543 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65556e-08% change) linmin: converged after 4 iterations. - iteration 11: trace = 4.410102274561978 (5.74606e-09% change) - linmin: converged after 3 iterations. - iteration 12: trace = 4.410102274546349 (3.54397e-10% change) + iteration 11: trace = 4.410102274561981 (5.74598e-09% change) + linmin: converged after 2 iterations. + iteration 12: trace = 4.410102274546351 (3.54417e-10% change) linmin: converged after 3 iterations. - iteration 13: trace = 4.410102274545235 (2.52551e-11% change) + iteration 13: trace = 4.410102274545239 (2.52148e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.04825639724731445 +elapsed time for k point: 0.235306978225708 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... + linmin: converged after 7 iterations. + iteration 1: trace = 4.563328932101475 (1.027% change) linmin: converged after 5 iterations. - iteration 1: trace = 4.56332893210122 (1.027% change) - linmin: converged after 5 iterations. - iteration 2: trace = 4.544560398258204 (0.412138% change) + iteration 2: trace = 4.544560398258472 (0.412138% change) linmin: converged after 5 iterations. - iteration 3: trace = 4.537741031323309 (0.150168% change) + iteration 3: trace = 4.537741031323348 (0.150168% change) linmin: converged after 5 iterations. - iteration 4: trace = 4.535260913319919 (0.0546703% change) + iteration 4: trace = 4.535260913319918 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) - linmin: converged after 4 iterations. + linmin: converged after 14 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.534520999244496 (0.000231075% change) + iteration 7: trace = 4.534520999244484 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738523 (5.16374e-05% change) linmin: converged after 5 iterations. - iteration 9: trace = 4.534517831347478 (1.82245e-05% change) + iteration 9: trace = 4.534517831347476 (1.82245e-05% change) + linmin: converged after 5 iterations. + iteration 10: trace = 4.534517685393302 (3.21874e-06% change) linmin: converged after 2 iterations. - iteration 10: trace = 4.5345176853933 (3.21874e-06% change) + iteration 11: trace = 4.534517644423044 (9.0352e-07% change) linmin: converged after 2 iterations. - iteration 11: trace = 4.534517644423106 (9.03518e-07% change) + iteration 12: trace = 4.534517627208925 (3.79624e-07% change) linmin: converged after 2 iterations. - iteration 12: trace = 4.534517627208904 (3.79626e-07% change) + iteration 13: trace = 4.534517623618738 (7.91746e-08% change) linmin: converged after 2 iterations. - iteration 13: trace = 4.534517623618736 (7.91742e-08% change) - linmin: converged after 19 iterations. - iteration 14: trace = 4.534517622906266 (1.57121e-08% change) - linmin: converged after 4 iterations. - iteration 15: trace = 4.534517622781559 (2.75018e-09% change) - linmin: converged after 19 iterations. - iteration 16: trace = 4.534517622760763 (4.58611e-10% change) - linmin: converged after 10 iterations. - iteration 17: trace = 4.534517622757205 (7.84657e-11% change) + iteration 14: trace = 4.534517622906268 (1.57121e-08% change) + linmin: converged after 3 iterations. + iteration 15: trace = 4.534517622781558 (2.75024e-09% change) + linmin: converged after 2 iterations. + iteration 16: trace = 4.53451762276076 (4.5865e-10% change) + linmin: converged after 2 iterations. + iteration 17: trace = 4.534517622757201 (7.84853e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.06267285346984863 +elapsed time for k point: 0.2923247814178467 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.620932082273765 (1.44492% change) + iteration 1: trace = 4.620932082300814 (1.44492% change) linmin: converged after 5 iterations. - iteration 2: trace = 4.585858477330484 (0.761907% change) + iteration 2: trace = 4.585858477336715 (0.761907% change) linmin: converged after 5 iterations. - iteration 3: trace = 4.579350993234657 (0.142004% change) + iteration 3: trace = 4.579350993236315 (0.142004% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.57821177137969 (0.0248805% change) + iteration 4: trace = 4.578211771380173 (0.0248805% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.577956393189917 (0.00557828% change) - linmin: converged after 4 iterations. - iteration 6: trace = 4.577915173102073 (0.000900408% change) - linmin: converged after 5 iterations. - iteration 7: trace = 4.577900193795438 (0.000327209% change) - linmin: converged after 5 iterations. - iteration 8: trace = 4.577895724955971 (9.76177e-05% change) - linmin: converged after 5 iterations. + iteration 5: trace = 4.577956393190039 (0.00557828% change) + linmin: converged after 6 iterations. + iteration 6: trace = 4.577915173102122 (0.000900408% change) + linmin: converged after 9 iterations. + iteration 7: trace = 4.57790019379545 (0.000327209% change) + linmin: converged after 3 iterations. + iteration 8: trace = 4.577895724955978 (9.76177e-05% change) + linmin: converged after 6 iterations. iteration 9: trace = 4.577894738564436 (2.15468e-05% change) - linmin: converged after 4 iterations. - iteration 10: trace = 4.577894647524323 (1.98869e-06% change) + linmin: converged after 3 iterations. + iteration 10: trace = 4.577894647524325 (1.98869e-06% change) linmin: converged after 2 iterations. - iteration 11: trace = 4.577894631981872 (3.39511e-07% change) + iteration 11: trace = 4.577894631981873 (3.39511e-07% change) + linmin: converged after 7 iterations. + iteration 12: trace = 4.577894627560065 (9.65904e-08% change) + linmin: converged after 3 iterations. + iteration 13: trace = 4.577894626684432 (1.91274e-08% change) linmin: converged after 4 iterations. - iteration 12: trace = 4.577894627560068 (9.65903e-08% change) + iteration 14: trace = 4.577894626586346 (2.1426e-09% change) linmin: converged after 3 iterations. - iteration 13: trace = 4.577894626684429 (1.91275e-08% change) - linmin: converged after 8 iterations. - iteration 14: trace = 4.577894626586343 (2.1426e-09% change) - linmin: converged after 5 iterations. - iteration 15: trace = 4.57789462657365 (2.77266e-10% change) - linmin: converged after 6 iterations. - iteration 16: trace = 4.577894626572485 (2.54547e-11% change) + iteration 15: trace = 4.577894626573653 (2.77266e-10% change) + linmin: converged after 23 iterations. + iteration 16: trace = 4.577894626572485 (2.55129e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.04540133476257324 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> -Band 4 range: 0.5932960873585139 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> -Band 6 range: 0.8375948528443258 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> -Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> -Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> -Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639% -Gap from band 3 (0.5605607947797744) to band 4 (0.5932960873585139), 5.674064623695028% -Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% -Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% -Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% -total elapsed time for run: 0.7990818023681641 +elapsed time for k point: 0.10833978652954102 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.27469022586236314 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> +Band 2 range: 0.4453310808471573 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.49023891490276794 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797745 at Vector3<0.0, 0.0, 0.0> +Band 4 range: 0.5932960873585138 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> +Band 5 range: 0.7908320763327574 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> +Band 6 range: 0.8375948528443264 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903463 at Vector3<-0.2, 0.39999999999999997, 0.0> +Band 7 range: 0.8691349955739217 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> +Band 8 range: 0.8992499095547036 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> +Gap from band 1 (0.27469022586236314) to band 2 (0.4453310808471573), 47.39883483854627% +Gap from band 3 (0.5605607947797745) to band 4 (0.5932960873585138), 5.674064623694989% +Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327574), 0.014223865113343911% +Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443264), 0.0171620472728465% +Gap from band 6 (0.8672009264903463) to band 7 (0.8691349955739217), 0.22277591092811824% +total elapsed time for run: 6.560234069824219 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -93841,7 +93768,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0018970966339111328 +elapsed time for initialization: 0.06353092193603516 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -93960,7 +93887,7 @@ iteration 56: trace = 6.205337647125874 (6.94044e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 -elapsed time for k point: 0.16656160354614258 +elapsed time for k point: 1.0220615863800049 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94027,7 +93954,7 @@ iteration 31: trace = 6.070460070673304 (7.6916e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 -elapsed time for k point: 0.12059140205383301 +elapsed time for k point: 0.45012521743774414 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94090,7 +94017,7 @@ iteration 29: trace = 5.856237734706169 (2.88919e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 -elapsed time for k point: 0.11979198455810547 +elapsed time for k point: 0.3962576389312744 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94145,7 +94072,7 @@ iteration 25: trace = 5.679316226598069 (4.87306e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 -elapsed time for k point: 0.09890007972717285 +elapsed time for k point: 0.45564818382263184 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94196,7 +94123,7 @@ iteration 23: trace = 5.56735694453921 (5.39382e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 -elapsed time for k point: 0.09032130241394043 +elapsed time for k point: 4.756447076797485 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94245,7 +94172,7 @@ iteration 22: trace = 5.529271313719442 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 -elapsed time for k point: 0.09172511100769043 +elapsed time for k point: 0.13971519470214844 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94298,7 +94225,7 @@ iteration 24: trace = 5.532153606068913 (8.04829e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 -elapsed time for k point: 0.09020638465881348 +elapsed time for k point: 0.4397597312927246 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94351,7 +94278,7 @@ iteration 24: trace = 5.534695993739172 (6.49922e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 -elapsed time for k point: 0.09398627281188965 +elapsed time for k point: 0.3718998432159424 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94402,7 +94329,7 @@ iteration 23: trace = 5.52714002396694 (5.32379e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 -elapsed time for k point: 0.09073734283447266 +elapsed time for k point: 0.29604601860046387 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94451,7 +94378,7 @@ iteration 22: trace = 5.514581486526155 (5.592e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 -elapsed time for k point: 0.08933568000793457 +elapsed time for k point: 0.35450291633605957 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94494,7 +94421,7 @@ iteration 19: trace = 5.508642232131613 (7.06203e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 -elapsed time for k point: 0.06982612609863281 +elapsed time for k point: 0.31696057319641113 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94541,7 +94468,7 @@ iteration 21: trace = 5.538947612933672 (6.51027e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 -elapsed time for k point: 0.08013343811035156 +elapsed time for k point: 0.3378431797027588 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94590,7 +94517,7 @@ iteration 22: trace = 5.636892705526575 (7.80421e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 -elapsed time for k point: 0.08436751365661621 +elapsed time for k point: 0.13305234909057617 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94649,7 +94576,7 @@ iteration 27: trace = 5.807436111839936 (8.67618e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 -elapsed time for k point: 0.1017613410949707 +elapsed time for k point: 0.5633218288421631 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94720,7 +94647,7 @@ iteration 33: trace = 6.039148745478512 (4.55476e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 -elapsed time for k point: 0.12446236610412598 +elapsed time for k point: 0.6183178424835205 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. @@ -94795,7 +94722,7 @@ iteration 35: trace = 6.205337647122205 (8.30305e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 -elapsed time for k point: 0.10547113418579102 +elapsed time for k point: 0.6333706378936768 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675781 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.47307223902807555 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714026 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839764 at Vector3<0.0, 0.0, 0.0> @@ -94806,7 +94733,7 @@ Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.116810719125538 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714026) to band 3 (0.5631505198559037), 0.00791684419568924% Gap from band 4 (0.8214230044191518) to band 5 (0.8651948144415254), 5.190483526604943% -total elapsed time for run: 1.6214375495910645 +total elapsed time for run: 11.351168155670166 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors @@ -94816,9 +94743,9 @@ Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 -./tmp/meepj2xd8H/test_tri_rods-0: 2.43s +./tmp/meepaT3ehl/test_tri_rods-0: 17.98s -/tmp/meepj2xd8H/test_triangular_lattice-0 +/tmp/meepaT3ehl/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -94861,7 +94788,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.002168893814086914 +elapsed time for initialization: 0.0027434825897216797 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -94916,7 +94843,7 @@ iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.07069683074951172 +elapsed time for k point: 0.16150546073913574 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94957,7 +94884,7 @@ iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.0689246654510498 +elapsed time for k point: 3.232968807220459 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94992,7 +94919,7 @@ iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.05613303184509277 +elapsed time for k point: 0.09292936325073242 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95025,7 +94952,7 @@ iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.053124427795410156 +elapsed time for k point: 0.39929747581481934 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95056,7 +94983,7 @@ iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.04932713508605957 +elapsed time for k point: 0.08175897598266602 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95087,7 +95014,7 @@ iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.05247306823730469 +elapsed time for k point: 0.08311033248901367 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95116,7 +95043,7 @@ iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.04544711112976074 +elapsed time for k point: 0.07708621025085449 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95145,7 +95072,7 @@ iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.04720354080200195 +elapsed time for k point: 0.3338043689727783 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95170,7 +95097,7 @@ iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.03767585754394531 +elapsed time for k point: 0.06525683403015137 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95195,7 +95122,7 @@ iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.037531375885009766 +elapsed time for k point: 0.06489706039428711 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95218,7 +95145,7 @@ iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.03397965431213379 +elapsed time for k point: 0.05894303321838379 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95245,7 +95172,7 @@ iteration 11: trace = 4.1978540503093 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.041036367416381836 +elapsed time for k point: 0.34760236740112305 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95274,7 +95201,7 @@ iteration 12: trace = 4.283266488990683 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.5255837440490723 +elapsed time for k point: 0.3634045124053955 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95305,7 +95232,7 @@ iteration 13: trace = 4.410102274545241 (2.50738e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.04787731170654297 +elapsed time for k point: 0.08095335960388184 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95344,7 +95271,7 @@ iteration 17: trace = 4.534517622757207 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.0619509220123291 +elapsed time for k point: 0.17179489135742188 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -95434,10 +95361,10 @@ AssertionError: -0.9945407488966614 != -0.9950905165812846 within 3 places (0.0005497676846231148 difference) ---------------------------------------------------------------------- -Ran 47 tests in 300.250s +Ran 47 tests in 754.981s FAILED (failures=4) -elapsed time for k point: 0.0451207160949707 +elapsed time for k point: 0.19103240966796875 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.560560794779775 at Vector3<0.0, 0.0, 0.0> @@ -95451,15 +95378,15 @@ Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443277), 0.017162047272992302% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% -total elapsed time for run: 1.277604579925537 +total elapsed time for run: 5.811183929443359 done -/tmp/meepj2xd8H/test_triangular_lattice-0: 1.28s +/tmp/meepaT3ehl/test_triangular_lattice-0: 5.81s -/tmp/meepj2xd8H/test_update_band_range_data-0 +/tmp/meepaT3ehl/test_update_band_range_data-0 ======================== -/tmp/meepj2xd8H/test_update_band_range_data-0: 0.00s +/tmp/meepaT3ehl/test_update_band_range_data-0: 0.00s -Elapsed run time = 300.2747 s +Elapsed run time = 755.0358 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_mode_decomposition @@ -95524,7 +95451,7 @@ make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.33.0.0 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so.33 || { rm -f libmeep.so.33 && ln -s libmeep.so.33.0.0 libmeep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.33.0.0 libmeep.so; }; }) @@ -95554,7 +95481,7 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' - /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' + /bin/sh ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/x86_64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' @@ -95566,9 +95493,9 @@ make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: warning: relinking 'libpympb.la' -libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so.33 || { rm -f libpympb.so.33 && ln -s libpympb.so.33.0.0 libpympb.so.33; }; }) @@ -95588,9 +95515,9 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' - /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' + /bin/sh ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' libtool: warning: relinking '_meep.la' -libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so.33 || { rm -f _meep.so.33 && ln -s _meep.so.33.0.0 _meep.so.33; }; }) @@ -95617,9 +95544,9 @@ Byte-compiling python modules (more optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' - /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' + /bin/sh ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' -libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so.33 || { rm -f _mpb.so.33 && ln -s _mpb.so.33.0.0 _mpb.so.33; }; }) @@ -95685,10 +95612,10 @@ debian/rules override_dh_shlibdeps make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' dh_shlibdeps -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyModule_GetDict: it's probably a plugin -dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all) -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PySlice_GetIndices: it's probably a plugin +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyBool_Type: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyObject_Type: it's probably a plugin +dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all) dh_numpy3 Possible precedence issue with control flow operator (return) at /usr/bin/dh_numpy3 line 57. dh_numpy3: warning: skipping binary package meep which does not depend on the NumPy C ABI @@ -95701,13 +95628,13 @@ dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb +dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-2_amd64.deb'. +dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-2_amd64.deb'. dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-2_amd64.deb'. +dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-2_amd64.deb'. +dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-2_amd64.deb'. dpkg-deb: building package 'meep' in '../meep_1.29.0-2_amd64.deb'. -dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-2_amd64.deb'. dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-2_amd64.deb'. -dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-2_amd64.deb'. -dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-2_amd64.deb'. -dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-2_amd64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.29.0-2_amd64.buildinfo dpkg-genchanges --build=binary -O../meep_1.29.0-2_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -95715,12 +95642,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/2816954/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/2816954/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/819830 and its subdirectories -I: Current time: Sun Aug 3 13:25:48 -12 2025 -I: pbuilder-time-stamp: 1754270748 +I: removing directory /srv/workspace/pbuilder/2816954 and its subdirectories +I: Current time: Sun Sep 6 22:40:50 +14 2026 +I: pbuilder-time-stamp: 1788684050