Diff of the two buildlogs: -- --- b1/build.log 2025-03-03 00:52:28.348321274 +0000 +++ b2/build.log 2025-03-03 01:21:45.612910822 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun Mar 2 12:27:47 -12 2025 -I: pbuilder-time-stamp: 1740961667 +I: Current time: Sun Apr 5 21:15:31 +14 2026 +I: pbuilder-time-stamp: 1775373331 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -25,51 +25,83 @@ 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/2663041/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/66114/tmp/hooks/D01_modify_environment starting +debug: Running on infom02-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 Apr 5 07:15 /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/66114/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/66114/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' + 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=12 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='amd64' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='12d5061fe121499fbf5d86ad6ef05644' - 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='2663041' - PS1='# ' - PS2='> ' + INVOCATION_ID=6b36f4515bad421bbb7395d8e1dc0b39 + 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=66114 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.6ACzILbW/pbuilderrc_tFtH --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.6ACzILbW/b1 --logfile b1/build.log meep_1.29.0-1.dsc' - SUDO_GID='109' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' + 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.6ACzILbW/pbuilderrc_swmf --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.6ACzILbW/b2 --logfile b2/build.log meep_1.29.0-1.dsc' + SUDO_GID=109 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' I: uname -a - Linux infom01-amd64 6.1.0-31-cloud-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.12.9+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.9-1~bpo12+1 (2025-01-19) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/2663041/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Nov 22 2024 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/66114/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -435,7 +467,7 @@ Get: 282 http://deb.debian.org/debian unstable/main amd64 python3-setuptools all 75.8.0-1 [724 kB] Get: 283 http://deb.debian.org/debian unstable/main amd64 quilt all 0.68-1 [437 kB] Get: 284 http://deb.debian.org/debian unstable/main amd64 swig amd64 4.3.0-1 [1503 kB] -Fetched 241 MB in 10s (23.5 MB/s) +Fetched 241 MB in 4s (57.4 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal: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 ... 19778 files and directories currently installed.) @@ -1352,8 +1384,8 @@ Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' -Local time is now: Mon Mar 3 00:31:04 UTC 2025. -Universal Time is now: Mon Mar 3 00:31:04 UTC 2025. +Local time is now: Sun Apr 5 07:18:30 UTC 2026. +Universal Time is now: Sun Apr 5 07:18:30 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... @@ -1612,7 +1644,11 @@ 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_1.29.0-1_source.changes +I: user script /srv/workspace/pbuilder/66114/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/66114/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_1.29.0-1_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.29.0-1 dpkg-buildpackage: info: source distribution unstable @@ -1892,7 +1928,7 @@ (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 @@ -1900,39 +1936,39 @@ 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 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 boundaries.lo boundaries.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 bicgstab.lo bicgstab.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 casimir.lo casimir.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 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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] @@ -2020,10 +2056,36 @@ monitor.cpp:274:15: note: 'comp_list' declared here 274 | component comp_list[3]; | ^~~~~~~~~ -/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.lo step.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 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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); + | ~~~~~~~~~^~~~~~~~~~~~~ +/bin/sh ../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.lo step.cpp +/bin/sh ../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 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'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); @@ -2068,39 +2130,12 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 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 step_db.cpp -fPIC -DPIC -o .libs/step_db.o -step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 144 | CHUNK_OPENMP -In file included from sources.cpp:27: -meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': -meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] - 81 | std::vector > amp; // amplitudes - | ^~~ -meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] - 77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling - | ^~~~~~~~~~~~~~~~~~ -sources.cpp:168:1: warning: when initialized here [-Wreorder] - 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, - | ^~~~~~~ +/bin/sh ../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 stress.lo stress.cpp +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time 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[-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 random.cpp -fPIC -DPIC -o random.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); - | ~~~~~~~~~^~~~~~~~~~~~~ -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 multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.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 structure.lo structure.cpp -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 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.libs/structure_dump.o -/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 susceptibility.lo susceptibility.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 time.lo time.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 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+/bin/sh ../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 time.lo time.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 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 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 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 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 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o update_pols.lo update_pols.cpp +/bin/sh ../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 mpb.lo mpb.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 mpb.cpp -fPIC -DPIC -o .libs/mpb.o +/bin/sh ../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 update_pols.lo update_pols.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 update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o 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); @@ -2148,9 +2185,6 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 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 update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o -/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 vec.lo vec.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 step_db.cpp -fPIC -DPIC -o step_db.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); @@ -2168,10 +2202,12 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ +/bin/sh ../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 vec.lo vec.cpp +/bin/sh ../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.lo step_generic.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 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 vec.cpp -fPIC -DPIC -o .libs/vec.o -/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.lo step_generic.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 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 step_generic.cpp -fPIC -DPIC -o .libs/step_generic.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 structure_dump.o >/dev/null 2>&1 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] @@ -2288,10 +2324,11 @@ 775 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:782: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 782 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } -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 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 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 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 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 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 mpb.cpp -fPIC -DPIC -o mpb.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; @@ -2311,71 +2348,14 @@ 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 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 meepgeom.lo meepgeom.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 GDSIIgeom.lo GDSIIgeom.cpp +/bin/sh ../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 meepgeom.lo meepgeom.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 meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o +/bin/sh ../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 GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o +/bin/sh ../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 meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll -/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 -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) { - | ^~~~~~~~~~~~ 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 -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++) { - | ~~^~~~~~~~~ -meepgeom.cpp:2854:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] - 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, - | ~^ ~~ - | | | - | int size_t {aka long unsigned int} - | %ld -meepgeom.cpp:2854:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] - 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, - | ~^ - | | - | int - | %ld - 2855 | current_adjoint_chunk->omega.size()); - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | | - | std::vector::size_type {aka long unsigned int} -meepgeom.cpp:2861:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] - 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, - | ~^ ~~ - | | | - | int size_t {aka long unsigned int} - | %ld -meepgeom.cpp:2861:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] - 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, - | ~^ - | | - | int - | %ld - 2862 | current_forward_chunk->omega.size()); - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | | - | std::vector::size_type {aka long unsigned int} -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; - | ~~~~~~~~~~^~~~~~~~~~~~~~~ -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)) - | ~~~~~~~~~^~~~~~~~~~~~~~~ -meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] - 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) - | ~~~~~~~~~^~~~~~~~~~~~~~~ -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++) { - | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 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] @@ -2550,11 +2530,62 @@ 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] -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 structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 +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]; + | ^~~~~ +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++) { + | ~~^~~~~~~~~ +meepgeom.cpp:2854:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] + 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, + | ~^ ~~ + | | | + | int size_t {aka long unsigned int} + | %ld +meepgeom.cpp:2854:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] + 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, + | ~^ + | | + | int + | %ld + 2855 | current_adjoint_chunk->omega.size()); + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | | + | std::vector::size_type {aka long unsigned int} +meepgeom.cpp:2861:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] + 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, + | ~^ ~~ + | | | + | int size_t {aka long unsigned int} + | %ld +meepgeom.cpp:2861:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] + 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, + | ~^ + | | + | int + | %ld + 2862 | current_forward_chunk->omega.size()); + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | | + | std::vector::size_type {aka long unsigned int} +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; + | ~~~~~~~~~~^~~~~~~~~~~~~~~ +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)) + | ~~~~~~~~~^~~~~~~~~~~~~~~ +meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] + 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) + | ~~~~~~~~~^~~~~~~~~~~~~~~ +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++) { + | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 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; @@ -2574,6 +2605,11 @@ 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, | ~~~~~~~~~~^~~~ +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 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 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 vec.cpp -fPIC -DPIC -o vec.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)': @@ -2588,7 +2624,7 @@ 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 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_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") @@ -2616,11 +2652,11 @@ ;;; 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 @@ -2707,13 +2743,13 @@ 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) \ @@ -2738,7 +2774,7 @@ 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") @@ -2764,10 +2800,14 @@ 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 -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 +/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: +typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] + 115 | static PyObject *py_volume_object() { + | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector, std::vector, std::vector, std::vector, std::vector, meep::grid_volume&, const meep::boundary_region&, const meep::symmetry&, int, double, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep::structure*, bool, const meep::binary_partition*)': meep-python.cxx:7529:62: warning: unused parameter 'alist' [-Wunused-parameter] 7529 | meep_geom::absorber_list alist, @@ -2791,10 +2831,6 @@ meep-python.cxx:7591:51: warning: unused parameter 'my_bp' [-Wunused-parameter] 7591 | const meep::binary_partition *my_bp) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ -In file included from mpb-python.cxx:3409: -typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] - 115 | static PyObject *py_volume_object() { - | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:25557:87: warning: unused parameter 'varargs' [-Wunused-parameter] 25557 | SWIGINTERN PyObject *_wrap_abort__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { @@ -2835,13 +2871,13 @@ 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") @@ -2849,7 +2885,7 @@ 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") @@ -2904,94 +2940,94 @@ 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 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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 @@ -3139,390 +3175,573 @@ make[2]: *** [Makefile:523: check-recursive] Error 1 make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' . -./.sourcery.yaml -./.gitattributes -./AUTHORS -./configure.ac -./configure -./compile -./autom4te.cache -./autom4te.cache/traces.0 -./autom4te.cache/traces.1 -./autom4te.cache/traces.2 -./autom4te.cache/traces.3 -./autom4te.cache/output.3 -./autom4te.cache/output.0 -./autom4te.cache/output.1 -./autom4te.cache/requests -./autom4te.cache/output.2 -./libtool -./py-compile +./libpympb +./libpympb/libpympb_la-pympb.lo +./libpympb/pympb.cpp +./libpympb/Makefile +./libpympb/libpympb.la +./libpympb/Makefile.in +./libpympb/Makefile.am +./libpympb/pympb.hpp +./libpympb/.libs +./libpympb/.libs/libpympb.so.33.0.0 +./libpympb/.libs/libpympb.a +./libpympb/.libs/libpympb.so.33 +./libpympb/.libs/libpympb.la +./libpympb/.libs/libpympb_la-pympb.o +./libpympb/.libs/libpympb.lai +./libpympb/.libs/libpympb.so +./libpympb/libpympb_la-pympb.o +./test-driver +./config.sub +./m4 +./m4/lt~obsolete.m4 +./m4/ltoptions.m4 +./m4/ax_cxx_maxopt.m4 +./m4/libtool.m4 +./m4/ax_gcc_archflag.m4 +./m4/ax_gcc_x86_cpuid.m4 +./m4/ax_cxx_compile_stdcxx.m4 +./m4/ax_lapack.m4 +./m4/ax_check_compiler_flags.m4 +./m4/ltsugar.m4 +./m4/ax_openmp.m4 +./m4/ltversion.m4 +./m4/ax_blas.m4 +./m4/ax_compiler_vendor.m4 +./m4/ax_mpi.m4 +./m4/pkg.m4 +./add_type_hints.xonsh +./codecov.yml +./README.md ./src -./src/material_data.lo -./src/structure_dump.cpp 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-./doc/docs/Scheme_Tutorials/Resonant_Modes_and_Transmission_in_a_Waveguide_Cavity.md -./doc/docs/Developer_Codes -./doc/docs/Developer_Codes/WriteChunkInfo.cpp -./doc/docs/Developer_Codes/Makefile.manual -./doc/docs/Perfectly_Matched_Layer.md -./doc/docs/Field_Functions.md -./doc/docs/mdx_math.py -./doc/docs/index.md -./doc/docs/Materials.md -./doc/docs/setup.py -./doc/docs/Subpixel_Smoothing.md -./doc/docs/Mode_Decomposition.md -./doc/docs/Installation.md -./doc/docs/Download.md -./doc/docs/Units_and_Nonlinearity.md -./doc/docs/C++_Tutorial.md -./doc/docs/2d_Cell_Special_kz.md -./doc/requirements.txt -./doc/bfast -./doc/bfast/fixed_angle_broadband_simulations_in_Meep.md -./doc/_api_snippets -./doc/_api_snippets/class_template.md -./doc/_api_snippets/function_template.md -./doc/_api_snippets/method_template.md -./doc/generate_py_api.py -./doc/README.md -./Makefile.am -./NEWS.md -./add_type_hints.xonsh -./meep-pkgconfig -./missing -./config.status -./COPYRIGHT -./mkdocs.yml -./.pc -./.pc/python-distutils.patch -./.pc/python-distutils.patch/configure.ac -./.pc/python-distutils.patch/python -./.pc/python-distutils.patch/python/visualization.py -./.pc/python-distutils.patch/doc -./.pc/python-distutils.patch/doc/docs -./.pc/python-distutils.patch/doc/docs/setup.py -./.pc/.quilt_patches -./.pc/applied-patches -./.pc/.version -./.pc/.quilt_series -./README.md +./tests/aniso_disp +./tests/known_results.o ======================================== meep 1.29.0: python/test-suite.log ======================================== @@ -4537,7 +4573,7 @@ # XPASS: 0 # ERROR: 0 -System information (uname -a): Linux 6.1.0-31-cloud-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 +System information (uname -a): Linux 6.12.9+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.9-1~bpo12+1 (2025-01-19) x86_64 Distribution information (/etc/os-release): PRETTY_NAME="Debian GNU/Linux trixie/sid" NAME="Debian GNU/Linux" @@ -4552,7 +4588,7 @@ FAIL: tests/test_adjoint_solver =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-u8cd320j because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; 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. +Matplotlib created a temporary cache directory at /tmp/matplotlib-y35jbza1 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; 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 @@ -4573,13 +4609,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.1844 s +Elapsed run time = 0.3090 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-3nrj077u because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; 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. +Matplotlib created a temporary cache directory at /tmp/matplotlib-ts60ac5o because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; 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 @@ -4600,13 +4636,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.1374 s +Elapsed run time = 0.1487 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ -Matplotlib created a temporary cache directory at /tmp/matplotlib-b1aka28p because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; 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. +Matplotlib created a temporary cache directory at /tmp/matplotlib-283fa_q0 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; 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 @@ -4627,7 +4663,7 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.1319 s +Elapsed run time = 0.1960 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax @@ -4642,13 +4678,13 @@ FAIL: tests/test_binary_partition_utils ======================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-qevufg5y because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; 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. +Matplotlib created a temporary cache directory at /tmp/matplotlib-w2dyev4g because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; 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 = 0.0022 s +Elapsed run time = 0.0029 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating @@ -4663,19 +4699,19 @@ FAIL: tests/test_chunk_balancer =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-wnv5dw41 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; 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. +Matplotlib created a temporary cache directory at /tmp/matplotlib-t8hfv5e8 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; 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 ModuleNotFoundError: No module named 'parameterized' -Elapsed run time = 0.0009 s +Elapsed run time = 0.0014 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-fxzjd31g because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; 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. +Matplotlib created a temporary cache directory at /tmp/matplotlib-zg8dl302 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; 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 @@ -4685,13 +4721,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.1297 s +Elapsed run time = 0.1897 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-d_y227m5 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; 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. +Matplotlib created a temporary cache directory at /tmp/matplotlib-afymr0d6 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; 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 @@ -4712,15 +4748,15 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.1351 s +Elapsed run time = 0.2521 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-w96_7j90 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; 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. +Matplotlib created a temporary cache directory at /tmp/matplotlib-ode84sng because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; 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/meepcMDAt0/test_anisotropic_2d_gap-0 +/tmp/meepGo7UOK/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -4763,7 +4799,7 @@ 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: 0.001392364501953125 +elapsed time for initialization: 0.0016086101531982422 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... @@ -4874,7 +4910,7 @@ 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: 0.06635761260986328 +elapsed time for k point: 0.10378193855285645 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -4969,7 +5005,7 @@ 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: 0.10802459716796875 +elapsed time for k point: 0.15664339065551758 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5062,7 +5098,7 @@ 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: 0.13862228393554688 +elapsed time for k point: 0.14217185974121094 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5163,7 +5199,7 @@ 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: 0.1432204246520996 +elapsed time for k point: 0.15505766868591309 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5246,7 +5282,7 @@ 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: 0.10608816146850586 +elapsed time for k point: 0.1280972957611084 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5323,7 +5359,7 @@ 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: 0.10338950157165527 +elapsed time for k point: 0.11795997619628906 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5404,7 +5440,7 @@ 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: 0.09300398826599121 +elapsed time for k point: 0.12443327903747559 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5483,7 +5519,7 @@ 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: 0.11662554740905762 +elapsed time for k point: 0.12218141555786133 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5564,7 +5600,7 @@ 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: 0.11455273628234863 +elapsed time for k point: 0.12489652633666992 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5653,7 +5689,7 @@ 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: 0.12364602088928223 +elapsed time for k point: 0.1356360912322998 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5765,7 +5801,7 @@ 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: 0.13802742958068848 +elapsed time for k point: 0.17089557647705078 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5859,7 +5895,7 @@ 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: 0.1295325756072998 +elapsed time for k point: 0.14110827445983887 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5932,7 +5968,7 @@ 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: 0.09645295143127441 +elapsed time for k point: 0.10266423225402832 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -6019,7 +6055,7 @@ 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: 0.09876227378845215 +elapsed time for k point: 0.11208772659301758 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -6100,7 +6136,7 @@ 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: 0.09136033058166504 +elapsed time for k point: 0.09552240371704102 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. @@ -6185,7 +6221,7 @@ 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: 0.05080270767211914 +..elapsed time for k point: 0.055086612701416016 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> @@ -6194,15 +6230,15 @@ 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: 1.7210466861724854 +total elapsed time for run: 1.9906818866729736 done -/tmp/meepcMDAt0/test_anisotropic_2d_gap-0: 1.72s +/tmp/meepGo7UOK/test_anisotropic_2d_gap-0: 1.99s -/tmp/meepcMDAt0/test_attribute_accessors-0 +/tmp/meepGo7UOK/test_attribute_accessors-0 ======================== -/tmp/meepcMDAt0/test_attribute_accessors-0: 0.00s +/tmp/meepGo7UOK/test_attribute_accessors-0: 0.00s -/tmp/meepcMDAt0/test_bragg-0 +/tmp/meepGo7UOK/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6230,7 +6266,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> -elapsed time for initialization: 0.00014519691467285156 +elapsed time for initialization: 0.00015020370483398438 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... @@ -6242,7 +6278,7 @@ 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 56.8182%) + switching to approximate line minimization (decrease time by 54.5455%) iteration 4: trace = 18.64391851739208 (0.846506% change) iteration 5: trace = 18.63017879178811 (0.0737226% change) iteration 6: trace = 18.62916087316935 (0.00546396% change) @@ -6256,14 +6292,14 @@ 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: 0.0012218952178955078 -total elapsed time for run: 0.0014026165008544922 +elapsed time for k point: 0.0013308525085449219 +total elapsed time for run: 0.001516580581665039 done Fixing h-field (band 8) phase by 0.909549 + -0.415598i; max ampl. = 1.96664 -.Outputting fields to /tmp/meepcMDAt0/test_bragg-0-h.k01.b08.y.tm.h5... -/tmp/meepcMDAt0/test_bragg-0: 0.01s +.Outputting fields to /tmp/meepGo7UOK/test_bragg-0-h.k01.b08.y.tm.h5... +/tmp/meepGo7UOK/test_bragg-0: 0.01s -/tmp/meepcMDAt0/test_bragg_sine-0 +/tmp/meepGo7UOK/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6299,7 +6335,7 @@ 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: 0.002270221710205078 +elapsed time for initialization: 0.0024542808532714844 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... @@ -6317,316 +6353,241 @@ 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 53.0303%) iteration 7: trace = 11.08219937792932 (0.00267622% change) - switching back to exact line minimization - iteration 8: trace = 11.080392850722 (0.0163025% change) - large trace change predicted (0.0782744%) - linmin: converged after 9 iterations. - switching to approximate line minimization (decrease time by 53.5211%) - iteration 9: trace = 11.07319559893032 (0.0649759% change) - iteration 10: trace = 11.07192200981321 (0.0115022% change) - iteration 11: trace = 11.07170680946347 (0.00194368% change) - iteration 12: trace = 11.07168950990259 (0.00015625% change) - iteration 13: trace = 11.07168773471146 (1.60336e-05% change) - iteration 14: trace = 11.07168720346757 (4.79822e-06% change) - iteration 15: trace = 11.07168503007525 (1.96302e-05% change) - iteration 16: trace = 11.07167782473472 (6.5079e-05% change) - iteration 17: trace = 11.07167492243091 (2.62138e-05% change) - iteration 18: trace = 11.07167456719088 (3.20855e-06% change) - iteration 19: trace = 11.07167452555272 (3.76078e-07% change) - iteration 20: trace = 11.07167452186431 (3.3314e-08% change) - iteration 21: trace = 11.0716745215661 (2.69344e-09% change) - iteration 22: trace = 11.07167452078795 (7.02824e-09% change) - iteration 23: trace = 11.0716745181686 (2.36582e-08% change) - iteration 24: trace = 11.0716745143556 (3.44392e-08% change) - iteration 25: trace = 11.07167451357659 (7.03608e-09% change) - iteration 26: trace = 11.07167451350159 (6.77368e-10% change) - iteration 27: trace = 11.07167451349702 (4.12816e-11% change) -Finished solving for bands 2 to 8 after 27 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 71.831%) + 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: 0.0017342567443847656 +elapsed time for k point: 0.0017962455749511719 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. - iteration 1: trace = 11.0420571237063 (0.32042% change) - linmin: converged after 14 iterations. - switching to approximate line minimization (decrease time by 62.5%) - iteration 2: trace = 11.02779477474111 (0.129247% change) - iteration 3: trace = 11.02770599452837 (0.000805062% change) + switching to approximate line minimization (decrease time by 50.6494%) + iteration 1: trace = 11.04205918662024 (0.320428% change) + iteration 2: trace = 11.04097319185186 (0.00983556% change) + iteration 3: trace = 11.0310179665569 (0.0902069% change) + iteration 4: trace = 11.02604795168743 (0.0450651% change) + iteration 5: trace = 11.01589037343371 (0.0921659% change) + iteration 6: trace = 11.00636167838598 (0.086537% change) + iteration 7: trace = 10.99497286069318 (0.103528% change) + iteration 8: trace = 10.99125254875814 (0.0338422% change) + iteration 9: trace = 10.99068335238559 (0.00517876% change) + iteration 10: trace = 10.9904935639369 (0.00172683% change) + iteration 11: trace = 10.99034447671044 (0.00135652% change) + iteration 12: trace = 10.99021888135096 (0.00114279% change) + iteration 13: trace = 10.99011535355635 (0.000942004% change) + iteration 14: trace = 10.99003188258483 (0.000759512% change) + iteration 15: trace = 10.98996527204669 (0.000606101% change) + iteration 16: trace = 10.98991206860757 (0.00048411% change) + iteration 17: trace = 10.98986916775849 (0.000390366% change) + iteration 18: trace = 10.98983403382302 (0.000319694% change) + iteration 19: trace = 10.98980469974849 (0.00026692% change) + iteration 20: trace = 10.98977968121429 (0.000227652% change) + iteration 21: trace = 10.98975787515441 (0.000198421% change) + iteration 22: trace = 10.98973846871386 (0.000176587% change) + iteration 23: trace = 10.989720865729 (0.000160177% change) + iteration 24: trace = 10.98970462983801 (0.000147737% change) + iteration 25: trace = 10.98968944051466 (0.000138214% change) + iteration 26: trace = 10.98967505945672 (0.00013086% change) + iteration 27: trace = 10.98966130452185 (0.000125162% change) + iteration 28: trace = 10.98964802907038 (0.0001208% change) + iteration 29: trace = 10.98963510735095 (0.000117581% change) + iteration 30: trace = 10.98962242367032 (0.000115415% change) + iteration 31: trace = 10.98960986618811 (0.000114267% change) + iteration 32: trace = 10.9895973240213 (0.000114128% change) + iteration 33: trace = 10.98958468701802 (0.000114991% change) + iteration 34: trace = 10.98957184727131 (0.000116836% change) + iteration 35: trace = 10.98955870189228 (0.000119617% change) + iteration 36: trace = 10.98954515475863 (0.000123273% change) + iteration 37: trace = 10.98953111861021 (0.000127723% change) + iteration 38: trace = 10.9895165147227 (0.000132889% change) + iteration 39: trace = 10.98950127177656 (0.000138705% change) + iteration 40: trace = 10.98948532287453 (0.000145129% change) + iteration 41: trace = 10.98946860264145 (0.000152148% change) + iteration 42: trace = 10.98945104477662 (0.00015977% change) + iteration 43: trace = 10.98943258164568 (0.000168008% change) + iteration 44: trace = 10.98941314594204 (0.000176858% change) + iteration 45: trace = 10.98939267634503 (0.000186267% change) + iteration 46: trace = 10.98937112576894 (0.000196104% change) + iteration 47: trace = 10.9893484723397 (0.00020614% change) + iteration 48: trace = 10.98932473277988 (0.000216024% change) + iteration 49: trace = 10.98929997518606 (0.000225288% change) + iteration 50: trace = 10.98927432998906 (0.000233365% change) switching back to exact line minimization - large trace change predicted (0.0933011%) - linmin: converged after 10 iterations. - iteration 4: trace = 11.01806864462377 (0.0874304% change) - linmin: converged after 6 iterations. - iteration 5: trace = 11.01664521374989 (0.0129199% change) - linmin: converged after 9 iterations. - iteration 6: trace = 11.01540469367485 (0.011261% change) - linmin: converged after 8 iterations. - iteration 7: trace = 11.01434030648623 (0.00966318% change) - linmin: converged after 6 iterations. - iteration 8: trace = 11.01352763270339 (0.0073786% change) - linmin: converged after 6 iterations. - iteration 9: trace = 11.01297462513812 (0.00502129% change) - linmin: converged after 7 iterations. - iteration 10: trace = 11.01260459185177 (0.00336003% change) + iteration 51: trace = 10.98924799608951 (0.000239633% change) linmin: converged after 6 iterations. - iteration 11: trace = 11.01234691166907 (0.00233989% change) - linmin: converged after 6 iterations. - iteration 12: trace = 11.0121582599239 (0.00171311% change) - linmin: converged after 5 iterations. - iteration 13: trace = 11.01201359875988 (0.00131366% change) - linmin: converged after 5 iterations. - iteration 14: trace = 11.01189809261363 (0.00104892% change) - linmin: converged after 5 iterations. - iteration 15: trace = 11.01180252615811 (0.000867851% change) - linmin: converged after 7 iterations. - iteration 16: trace = 11.0117209015808 (0.000741249% change) - linmin: converged after 5 iterations. - iteration 17: trace = 11.01164913059096 (0.000651771% change) + iteration 52: trace = 10.98922123869473 (0.000243487% change) linmin: converged after 5 iterations. - iteration 18: trace = 11.01158429601335 (0.000588783% change) + iteration 53: trace = 10.98919471397701 (0.000241371% change) linmin: converged after 5 iterations. - iteration 19: trace = 11.01152421280969 (0.000545638% change) - linmin: converged after 5 iterations. - iteration 20: trace = 11.0114671571871 (0.000518146% change) - linmin: converged after 6 iterations. - iteration 21: trace = 11.01141169184879 (0.000503707% change) - linmin: converged after 5 iterations. - iteration 22: trace = 11.01135654874443 (0.000500783% change) - linmin: converged after 5 iterations. - iteration 23: trace = 11.01130054771747 (0.000508576% change) - linmin: converged after 5 iterations. - iteration 24: trace = 11.01124253850732 (0.000526817% change) + iteration 54: trace = 10.98916845640175 (0.00023894% change) linmin: converged after 6 iterations. - iteration 25: trace = 11.01118136050075 (0.000555597% change) - linmin: converged after 5 iterations. - iteration 26: trace = 11.01111581705355 (0.000595246% change) - linmin: converged after 5 iterations. - iteration 27: trace = 11.01104466395403 (0.000646195% change) - linmin: converged after 5 iterations. - iteration 28: trace = 11.0109666133157 (0.000708842% change) - linmin: converged after 6 iterations. - iteration 29: trace = 11.01088035447222 (0.000783393% change) - linmin: converged after 6 iterations. - iteration 30: trace = 11.01078458852568 (0.000869743% change) + switching to approximate line minimization (decrease time by 50.3704%) + iteration 55: trace = 10.98914283053141 (0.000233192% change) + switching back to exact line minimization + iteration 56: trace = 10.98911818153421 (0.000224303% change) linmin: converged after 5 iterations. - iteration 31: trace = 11.0106780792276 (0.000967323% change) + iteration 57: trace = 10.98909449154479 (0.000215577% change) linmin: converged after 5 iterations. - iteration 32: trace = 11.01055970198076 (0.00107512% change) - linmin: converged after 6 iterations. - iteration 33: trace = 11.01042851465186 (0.00119148% change) + iteration 58: trace = 10.98907261442711 (0.00019908% change) linmin: converged after 5 iterations. - iteration 34: trace = 11.0102838167898 (0.0013142% change) + iteration 59: trace = 10.98905237944392 (0.000184137% change) + linmin: converged after 4 iterations. + iteration 60: trace = 10.98903385033628 (0.000168614% change) linmin: converged after 5 iterations. - iteration 35: trace = 11.01012517288492 (0.00144088% change) - linmin: converged after 7 iterations. - iteration 36: trace = 11.00995252661111 (0.00156808% change) + iteration 61: trace = 10.98901701739375 (0.00015318% change) linmin: converged after 5 iterations. - iteration 37: trace = 11.00976626935933 (0.00169173% change) - linmin: converged after 8 iterations. - iteration 38: trace = 11.00956720742719 (0.00180807% change) - linmin: converged after 8 iterations. - iteration 39: trace = 11.00935686225436 (0.00191059% change) + iteration 62: trace = 10.98900181160542 (0.000138373% change) linmin: converged after 6 iterations. - iteration 40: trace = 11.0091373892144 (0.00199353% change) - linmin: converged after 5 iterations. - iteration 41: trace = 11.00891146316773 (0.00205219% change) - linmin: converged after 6 iterations. - iteration 42: trace = 11.00868238030121 (0.00208091% change) - linmin: converged after 6 iterations. - iteration 43: trace = 11.00845354394684 (0.00207871% change) - linmin: converged after 9 iterations. - iteration 44: trace = 11.00822813300839 (0.00204764% change) - linmin: converged after 5 iterations. - iteration 45: trace = 11.00800878913159 (0.00199256% change) + switching to approximate line minimization (decrease time by 50.3185%) + iteration 63: trace = 10.98898812094759 (0.000124585% change) + iteration 64: trace = 10.98897580654782 (0.000112061% change) + iteration 65: trace = 10.98896465073033 (0.000101518% change) + iteration 66: trace = 10.98895458015756 (9.16426e-05% change) + iteration 67: trace = 10.98894544206136 (8.31571e-05% change) + iteration 68: trace = 10.98893709471759 (7.59613e-05% change) + iteration 69: trace = 10.98892941032538 (6.99285e-05% change) + resetting CG direction... + switching back to exact line minimization + large trace change predicted (0.0842373%) linmin: converged after 7 iterations. - iteration 46: trace = 11.00779729749428 (0.00192127% change) - linmin: converged after 6 iterations. - iteration 47: trace = 11.00759481245951 (0.00183949% change) + iteration 70: trace = 10.98844051734454 (0.00444906% change) linmin: converged after 8 iterations. - iteration 48: trace = 11.00740162096501 (0.00175509% change) - linmin: converged after 5 iterations. - iteration 49: trace = 11.00721769409137 (0.00167095% change) - linmin: converged after 6 iterations. - iteration 50: trace = 11.00704263498047 (0.00159042% change) - linmin: converged after 6 iterations. - iteration 51: trace = 11.00687588019201 (0.00151499% change) - linmin: converged after 6 iterations. - iteration 52: trace = 11.00671682329668 (0.00144508% change) - linmin: converged after 5 iterations. - iteration 53: trace = 11.00656482094398 (0.00138101% change) - linmin: converged after 6 iterations. - iteration 54: trace = 11.00641928257298 (0.0013223% change) - linmin: converged after 9 iterations. - iteration 55: trace = 11.00627971092517 (0.0012681% change) - linmin: converged after 5 iterations. - iteration 56: trace = 11.00614566730734 (0.00121789% change) - linmin: converged after 6 iterations. - iteration 57: trace = 11.00601676693071 (0.00117117% change) - linmin: converged after 6 iterations. - iteration 58: trace = 11.00589270368306 (0.00112724% change) - linmin: converged after 5 iterations. - iteration 59: trace = 11.00577322833265 (0.00108556% change) - linmin: converged after 6 iterations. - iteration 60: trace = 11.00565811658663 (0.00104593% change) - linmin: converged after 9 iterations. - iteration 61: trace = 11.00554720184982 (0.0010078% change) - linmin: converged after 5 iterations. - iteration 62: trace = 11.00544034234461 (0.000970965% change) - linmin: converged after 5 iterations. - iteration 63: trace = 11.00533740233962 (0.00093536% change) + iteration 71: trace = 10.9883228705053 (0.00107065% change) linmin: converged after 6 iterations. - iteration 64: trace = 11.0052382721463 (0.000900751% change) - linmin: converged after 8 iterations. - iteration 65: trace = 11.00514284732144 (0.000867089% change) + iteration 72: trace = 10.98811698523274 (0.00187369% change) linmin: converged after 5 iterations. - iteration 66: trace = 11.005051018733 (0.000834419% change) - linmin: converged after 6 iterations. - iteration 67: trace = 11.00496267780667 (0.000802734% change) + iteration 73: trace = 10.98801773264826 (0.000903276% change) linmin: converged after 5 iterations. - iteration 68: trace = 11.00487771633885 (0.000772032% change) - linmin: converged after 6 iterations. - iteration 69: trace = 11.00479602114368 (0.000742357% change) - resetting CG direction... - large trace change predicted (0.11555%) - linmin: converged after 11 iterations. - iteration 70: trace = 10.99202060150747 (0.116157% change) - linmin: converged after 6 iterations. - iteration 71: trace = 10.99062202272252 (0.0127244% change) - linmin: converged after 6 iterations. - iteration 72: trace = 10.98948425550944 (0.0103527% change) - linmin: converged after 9 iterations. - iteration 73: trace = 10.98818654078416 (0.0118094% change) - linmin: converged after 8 iterations. - iteration 74: trace = 10.9880255956597 (0.00146472% change) - linmin: converged after 8 iterations. - iteration 75: trace = 10.98801515688173 (9.50014e-05% change) - linmin: converged after 4 iterations. - iteration 76: trace = 10.98801412684026 (9.37423e-06% change) - linmin: converged after 6 iterations. - iteration 77: trace = 10.98801409633438 (2.77629e-07% change) + iteration 74: trace = 10.98801435918611 (3.07013e-05% change) linmin: converged after 4 iterations. - iteration 78: trace = 10.98801409320438 (2.84855e-08% change) - linmin: converged after 7 iterations. - iteration 79: trace = 10.98801409297425 (2.09439e-09% change) - linmin: converged after 3 iterations. - iteration 80: trace = 10.98801409316149 (1.70399e-09% change) - linmin: converged after 3 iterations. - iteration 81: trace = 10.98801409301477 (1.33524e-09% change) - linmin: converged after 6 iterations. - iteration 82: trace = 10.98801409297445 (3.66911e-10% change) - linmin: converged after 7 iterations. - iteration 83: trace = 10.98801409295093 (2.14107e-10% change) - linmin: converged after 75 iterations. - iteration 84: trace = 10.98801409299345 (3.86973e-10% change) - linmin: converged after 18 iterations. - iteration 85: trace = 10.98801409290828 (7.75094e-10% change) + iteration 75: trace = 10.98801411502242 (2.22209e-06% change) + linmin: converged after 11 iterations. + iteration 76: trace = 10.98801409640892 (1.69398e-07% change) linmin: converged after 3 iterations. - iteration 86: trace = 10.98801409286782 (3.6822e-10% change) - linmin: converged after 19 iterations. - iteration 87: trace = 10.98801409290628 (3.50049e-10% change) + iteration 77: trace = 10.9880140951156 (1.17703e-08% change) linmin: converged after 6 iterations. - iteration 88: trace = 10.98801409288999 (1.48277e-10% change) + iteration 78: trace = 10.98801409430641 (7.36431e-09% change) linmin: converged after 4 iterations. - iteration 89: trace = 10.98801409304976 (1.45405e-09% change) - linmin: converged after 5 iterations. - iteration 90: trace = 10.98801409291472 (1.22895e-09% change) - linmin: converged after 3 iterations. - iteration 91: trace = 10.98801409297572 (5.55087e-10% change) + iteration 79: trace = 10.98801409335429 (8.66501e-09% change) + linmin: converged after 4 iterations. + iteration 80: trace = 10.98801409294129 (3.75867e-09% change) linmin: converged after 4 iterations. - iteration 92: trace = 10.98801409298006 (3.9559e-11% change) -Finished solving for bands 1 to 8 after 92 iterations. + iteration 81: trace = 10.98801409294165 (3.2656e-12% change) +Finished solving for bands 1 to 8 after 81 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: 0.009034395217895508 +elapsed time for k point: 0.007541179656982422 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. - iteration 1: trace = 10.90376044874592 (0.00793507% change) + iteration 1: trace = 10.90376047332898 (0.00793516% change) linmin: converged after 3 iterations. - iteration 2: trace = 10.90359829835632 (0.00148712% change) - linmin: converged after 19 iterations. - switching to approximate line minimization (decrease time by 67.9389%) - iteration 3: trace = 10.90350960122736 (0.00081347% change) - iteration 4: trace = 10.90345231119966 (0.000525429% change) - iteration 5: trace = 10.90344655642116 (5.27794e-05% change) - iteration 6: trace = 10.9034460867303 (4.30773e-06% change) - iteration 7: trace = 10.90344605028293 (3.34274e-07% change) - iteration 8: trace = 10.9034460484777 (1.65565e-08% change) - iteration 9: trace = 10.90344604785672 (5.69525e-09% change) - iteration 10: trace = 10.90344604734796 (4.66606e-09% change) - iteration 11: trace = 10.90344604730577 (3.86928e-10% change) - iteration 12: trace = 10.90344604730431 (1.33755e-11% change) -Finished solving for bands 1 to 8 after 12 iterations. + iteration 2: trace = 10.90359831199751 (0.00148722% change) + linmin: converged after 5 iterations. + iteration 3: trace = 10.90350960532632 (0.000813557% change) + linmin: converged after 3 iterations. + iteration 4: trace = 10.90345230354606 (0.000525537% change) + linmin: converged after 3 iterations. + iteration 5: trace = 10.90344655289771 (5.27416e-05% change) + linmin: converged after 4 iterations. + iteration 6: trace = 10.90344608445379 (4.29629e-06% change) + linmin: converged after 2 iterations. + iteration 7: trace = 10.90344604871542 (3.27771e-07% change) + linmin: converged after 2 iterations. + iteration 8: trace = 10.9034460473527 (1.24981e-08% change) + linmin: converged after 2 iterations. + iteration 9: trace = 10.9034460473056 (4.31942e-10% change) + linmin: converged after 4 iterations. + iteration 10: trace = 10.90344604730442 (1.08829e-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: 0.0009167194366455078 +elapsed time for k point: 0.0015799999237060547 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.82874319248017 (0.00713652% change) + iteration 1: trace = 10.82874318743392 (0.00713648% change) linmin: converged after 3 iterations. - iteration 2: trace = 10.82865179318046 (0.000844047% change) - linmin: converged after 4 iterations. - iteration 3: trace = 10.82863914684224 (0.000116786% change) + iteration 2: trace = 10.828651790488 (0.000844025% change) linmin: converged after 4 iterations. - iteration 4: trace = 10.82863201438444 (6.58666e-05% change) + iteration 3: trace = 10.82863914564312 (0.000116772% change) + linmin: converged after 6 iterations. + iteration 4: trace = 10.82863201430638 (6.58563e-05% change) linmin: converged after 5 iterations. - iteration 5: trace = 10.82863047384864 (1.42265e-05% change) + iteration 5: trace = 10.82863047384795 (1.42258e-05% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.82863033630221 (1.27021e-06% change) + iteration 6: trace = 10.82863033630219 (1.2702e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11044e-07% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.82863032376797 (4.7066e-09% change) + iteration 8: trace = 10.82863032376797 (4.70661e-09% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.8286303237533 (1.35516e-10% change) + iteration 9: trace = 10.8286303237533 (1.35499e-10% change) linmin: converged after 2 iterations. - iteration 10: trace = 10.82863032375297 (3.00198e-12% change) + iteration 10: trace = 10.82863032375297 (3.01838e-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: 0.0009005069732666016 +elapsed time for k point: 0.0013625621795654297 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.76383414066029 (0.00702665% change) + iteration 1: trace = 10.76383414066022 (0.00702665% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.76375283235572 (0.000755387% change) + iteration 2: trace = 10.76375283235568 (0.000755387% change) linmin: converged after 4 iterations. - iteration 3: trace = 10.76374658323257 (5.80571e-05% change) - linmin: converged after 8 iterations. - switching to approximate line minimization (decrease time by 53.4884%) - iteration 4: trace = 10.76374528581932 (1.20535e-05% change) + 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. + switching to approximate line minimization (decrease time by 62.6506%) iteration 5: trace = 10.76374486740369 (3.88727e-06% change) - iteration 6: trace = 10.76374482182858 (4.23413e-07% change) + iteration 6: trace = 10.76374482182859 (4.23413e-07% change) iteration 7: trace = 10.76374481723281 (4.26968e-08% change) - iteration 8: trace = 10.76374481699878 (2.17426e-09% change) - iteration 9: trace = 10.76374481699274 (5.60942e-11% change) + iteration 8: trace = 10.76374481699878 (2.17424e-09% change) + iteration 9: trace = 10.76374481699274 (5.61107e-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: 0.0007114410400390625 +elapsed time for k point: 0.0010082721710205078 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.70890918979396 (0.00701169% change) + iteration 1: trace = 10.70890918978236 (0.00701169% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.70883098425621 (0.000730287% change) + iteration 2: trace = 10.70883098425247 (0.000730287% change) linmin: converged after 4 iterations. - iteration 3: trace = 10.70882611989586 (4.54238e-05% change) + iteration 3: trace = 10.70882611989435 (4.54238e-05% change) linmin: converged after 2 iterations. - iteration 4: trace = 10.70882574798009 (3.47298e-06% change) + iteration 4: trace = 10.70882574797967 (3.47297e-06% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.70882564389911 (9.71918e-07% change) + iteration 5: trace = 10.70882564389908 (9.71914e-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) + iteration 7: trace = 10.70882562792912 (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 (2.69883e-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: 0.0007910728454589844 +elapsed time for k point: 0.0009677410125732422 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6642,114 +6603,117 @@ linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762051 (3.59533e-08% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.66388494718304 (4.10241e-09% change) + iteration 7: trace = 10.66388494718304 (4.10242e-09% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.66388494713199 (4.78709e-10% change) + iteration 8: trace = 10.66388494713198 (4.78725e-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: 0.0007987022399902344 +elapsed time for k point: 0.0009458065032958984 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. - iteration 3: trace = 10.62892818217894 (3.96383e-05% change) + iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.62892805633393 (1.18399e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71056e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.62892804604186 (9.72514e-09% change) + iteration 6: trace = 10.62892804604186 (9.72509e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.62892804597542 (6.25063e-10% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.62892804596423 (1.05255e-10% change) + iteration 8: trace = 10.62892804596423 (1.05289e-10% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.62892804596352 (6.73513e-12% change) + iteration 9: trace = 10.62892804596352 (6.71841e-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: 0.000823974609375 +elapsed time for k point: 0.0009064674377441406 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... - linmin: converged after 15 iterations. - switching to approximate line minimization (decrease time by 64.9123%) + linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) - iteration 2: trace = 10.60396176576967 (0.000715109% change) - iteration 3: trace = 10.60395764738233 (3.88382e-05% change) - iteration 4: trace = 10.60395754102271 (1.00302e-06% change) - iteration 5: trace = 10.60395753615815 (4.5875e-08% change) - iteration 6: trace = 10.60395753572881 (4.0488e-09% change) - iteration 7: trace = 10.60395753570917 (1.85275e-10% change) + linmin: converged after 4 iterations. + iteration 2: trace = 10.60396176516587 (0.000715115% change) + linmin: converged after 5 iterations. + switching to approximate line minimization (decrease time by 52.459%) + iteration 3: trace = 10.6039576473093 (3.88332e-05% change) + iteration 4: trace = 10.60395754101094 (1.00244e-06% change) + iteration 5: trace = 10.60395753615696 (4.57752e-08% change) + iteration 6: trace = 10.60395753572879 (4.03783e-09% change) + iteration 7: trace = 10.60395753570917 (1.85074e-10% change) iteration 8: trace = 10.6039575357088 (3.43412e-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: 0.0005922317504882812 +elapsed time for k point: 0.0008556842803955078 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.58905458876896 (0.00704958% change) + switching to approximate line minimization (decrease time by 51.5464%) + iteration 1: trace = 10.58905458874498 (0.00704958% change) + switching back to exact line minimization + iteration 2: trace = 10.5889789568905 (0.000714248% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.58897895638546 (0.000714253% change) - linmin: converged after 5 iterations. - iteration 3: trace = 10.58897488550181 (3.84445e-05% change) + iteration 3: trace = 10.58897488556317 (3.84487e-05% change) linmin: converged after 2 iterations. - iteration 4: trace = 10.58897478737543 (9.26684e-07% change) + iteration 4: trace = 10.58897478738553 (9.27168e-07% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.58897478401991 (3.16889e-08% change) + iteration 5: trace = 10.58897478402131 (3.1771e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.58897478378886 (2.18201e-09% change) + iteration 6: trace = 10.58897478378889 (2.19489e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.58897478377234 (1.55945e-10% change) + iteration 7: trace = 10.58897478377235 (1.56214e-10% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.58897478377204 (2.88539e-12% change) + iteration 8: trace = 10.58897478377203 (2.98604e-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: 0.0007402896881103516 +elapsed time for k point: 0.0012269020080566406 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 = 10.584060178915 (0.00705116% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.58398461985988 (0.000713897% change) + iteration 2: trace = 10.58398461986171 (0.000713897% change) linmin: converged after 5 iterations. - iteration 3: trace = 10.58398056403726 (3.83204e-05% change) + iteration 3: trace = 10.58398056403728 (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 (2.80563e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.58398046493152 (1.56375e-09% change) + iteration 6: trace = 10.58398046493152 (1.56376e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.58398046491724 (1.34939e-10% change) + iteration 7: trace = 10.58398046491724 (1.34922e-10% change) linmin: converged after 1 iterations. - iteration 8: trace = 10.58398046491708 (1.49373e-12% change) + iteration 8: trace = 10.58398046491709 (1.47694e-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: 0.0007135868072509766 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820292 at Vector3<0.5, 0.0, 0.0> -Band 2 range: 0.30640302623084287 at Vector3<0.5, 0.0, 0.0> to 0.4687748525865849 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 0.5466257501311288 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541639 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 0.784261590509382 at Vector3<0.5, 0.0, 0.0> to 0.9893486155436435 at Vector3<0.0, 0.0, 0.0> -Band 5 range: 1.024054864814683 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025886 at Vector3<0.5, 0.0, 0.0> -Band 6 range: 1.2666566861855075 at Vector3<0.5, 0.0, 0.0> to 1.4970379696965437 at Vector3<0.0, 0.0, 0.0> -Band 7 range: 1.5115800994649606 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910526 at Vector3<0.5, 0.0, 0.0> -Band 8 range: 1.7581683208483647 at Vector3<0.5, 0.0, 0.0> to 1.9999072006790768 at Vector3<0.0, 0.0, 0.0> -Gap from band 1 (0.19477466366820292) to band 2 (0.30640302623084287), 44.54642128428569% -Gap from band 2 (0.4687748525865849) to band 3 (0.5466257501311288), 15.334026262378892% -Gap from band 3 (0.7316504426541639) to band 4 (0.784261590509382), 6.941187444158526% -Gap from band 4 (0.9893486155436435) to band 5 (1.024054864814683), 3.447520540181325% -Gap from band 5 (1.2440980042025886) to band 6 (1.2666566861855075), 1.7969642410132791% -Gap from band 6 (1.4970379696965437) to band 7 (1.5115800994649606), 0.9666982936434878% -Gap from band 7 (1.7488359039910526) to band 8 (1.7581683208483647), 0.5322158890606664% -total elapsed time for run: 0.020246267318725586 +.elapsed time for k point: 0.0013225078582763672 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820312 at Vector3<0.5, 0.0, 0.0> +Band 2 range: 0.3064030262308448 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 0.7316504426541638 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 0.7842615905093825 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 1.2440980042025875 at Vector3<0.5, 0.0, 0.0> +Band 6 range: 1.2666566861855086 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 1.7488359039910513 at Vector3<0.5, 0.0, 0.0> +Band 8 range: 1.7581683208483634 at Vector3<0.5, 0.0, 0.0> to 1.9999072006798366 at Vector3<0.0, 0.0, 0.0> +Gap from band 1 (0.19477466366820312) to band 2 (0.3064030262308448), 44.54642128428621% +Gap from band 2 (0.4687748525867353) to band 3 (0.5466257501319475), 15.334026262495888% +Gap from band 3 (0.7316504426541638) to band 4 (0.7842615905093825), 6.941187444158598% +Gap from band 4 (0.9893486155436341) to band 5 (1.0240548648147199), 3.4475205401858773% +Gap from band 5 (1.2440980042025875) to band 6 (1.2666566861855086), 1.796964241013456% +Gap from band 6 (1.4970379696965217) to band 7 (1.5115800994653292), 0.9666982936693403% +Gap from band 7 (1.7488359039910513) to band 8 (1.7581683208483634), 0.5322158890606669% +total elapsed time for run: 0.022333383560180664 done -/tmp/meepcMDAt0/test_bragg_sine-0: 0.02s +/tmp/meepGo7UOK/test_bragg_sine-0: 0.02s -/tmp/meepcMDAt0/test_compute_field_energy-0 +/tmp/meepGo7UOK/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6792,7 +6756,7 @@ 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: 0.0011320114135742188 +elapsed time for initialization: 0.0015673637390136719 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 +6867,7 @@ 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: 0.0769205093383789 +elapsed time for k point: 0.09332013130187988 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7154,7 +7118,7 @@ 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: 0.27539777755737305 +elapsed time for k point: 0.2930021286010742 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7211,7 +7175,7 @@ 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: 0.06018376350402832 +elapsed time for k point: 0.06355619430541992 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7264,7 +7228,7 @@ 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: 0.056203603744506836 +elapsed time for k point: 0.05894613265991211 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7325,7 +7289,7 @@ 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: 0.08455038070678711 +elapsed time for k point: 0.06855893135070801 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7418,7 +7382,7 @@ 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: 0.10144400596618652 +elapsed time for k point: 0.10656619071960449 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7489,7 +7453,7 @@ 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: 0.09104323387145996 +elapsed time for k point: 0.08066105842590332 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7550,7 +7514,7 @@ 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: 0.06591010093688965 +elapsed time for k point: 0.0682516098022461 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7603,7 +7567,7 @@ 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: 0.056069135665893555 +elapsed time for k point: 0.05866384506225586 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7655,7 +7619,7 @@ 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: 0.0542600154876709 +elapsed time for k point: 0.05649089813232422 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7707,7 +7671,7 @@ 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: 0.054215192794799805 +elapsed time for k point: 0.05632424354553223 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7748,7 +7712,7 @@ 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: 0.043015241622924805 +elapsed time for k point: 0.04492354393005371 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7795,7 +7759,7 @@ 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: 0.04967927932739258 +elapsed time for k point: 0.052269935607910156 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7858,7 +7822,7 @@ 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: 0.0678701400756836 +elapsed time for k point: 0.07151269912719727 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7931,7 +7895,7 @@ 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: 0.07846260070800781 +elapsed time for k point: 0.0835719108581543 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -8126,7 +8090,7 @@ 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: 0.13964152336120605 +elapsed time for k point: 0.15325236320495605 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 +8102,13 @@ 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: 1.35707688331604 +total elapsed time for run: 1.412233591079712 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/meepcMDAt0/test_compute_field_energy-0: 1.36s +./tmp/meepGo7UOK/test_compute_field_energy-0: 1.41s -/tmp/meepcMDAt0/test_compute_group_velocity-0 +/tmp/meepGo7UOK/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -8187,7 +8151,7 @@ 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: 0.0011022090911865234 +elapsed time for initialization: 0.0011279582977294922 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 +8262,7 @@ 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: 0.07782769203186035 +elapsed time for k point: 0.08651614189147949 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8549,7 +8513,7 @@ 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: 0.27945804595947266 +elapsed time for k point: 0.2930011749267578 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8606,7 +8570,7 @@ 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: 0.0612788200378418 +elapsed time for k point: 0.06398773193359375 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8659,7 +8623,7 @@ 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: 0.05691981315612793 +elapsed time for k point: 0.05944323539733887 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8720,7 +8684,7 @@ 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: 0.06573271751403809 +elapsed time for k point: 0.06880855560302734 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8813,7 +8777,7 @@ 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: 0.10379791259765625 +elapsed time for k point: 0.11058807373046875 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8884,7 +8848,7 @@ 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: 0.07671046257019043 +elapsed time for k point: 0.08353424072265625 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8945,7 +8909,7 @@ 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: 0.06511521339416504 +elapsed time for k point: 0.06858158111572266 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8998,7 +8962,7 @@ 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: 0.05893254280090332 +elapsed time for k point: 0.058940887451171875 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9050,7 +9014,7 @@ 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: 0.05617570877075195 +elapsed time for k point: 0.05639386177062988 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9102,7 +9066,7 @@ 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: 0.054106950759887695 +elapsed time for k point: 0.05603957176208496 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9143,7 +9107,7 @@ 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: 0.04243350028991699 +elapsed time for k point: 0.04455447196960449 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9190,7 +9154,7 @@ 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: 0.050165414810180664 +elapsed time for k point: 0.051581621170043945 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9253,7 +9217,7 @@ 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: 0.10084033012390137 +elapsed time for k point: 0.07060670852661133 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9326,7 +9290,7 @@ 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: 0.09600567817687988 +elapsed time for k point: 0.08281850814819336 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -9521,7 +9485,7 @@ 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: 0.20487141609191895 +.elapsed time for k point: 0.15141773223876953 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 +9497,11 @@ 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: 1.452808141708374 +total elapsed time for run: 1.4087450504302979 done -/tmp/meepcMDAt0/test_compute_group_velocity-0: 1.45s +/tmp/meepGo7UOK/test_compute_group_velocity-0: 1.41s -/tmp/meepcMDAt0/test_compute_integrals-0 +/tmp/meepGo7UOK/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -9580,7 +9544,7 @@ 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: 0.0011599063873291016 +elapsed time for initialization: 0.0011322498321533203 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 +9655,7 @@ 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: 0.11275696754455566 +elapsed time for k point: 0.08534550666809082 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -9942,7 +9906,7 @@ 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: 0.39911460876464844 +elapsed time for k point: 0.2942636013031006 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9999,7 +9963,7 @@ 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: 0.08963441848754883 +elapsed time for k point: 0.06425046920776367 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10052,7 +10016,7 @@ 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: 0.0805659294128418 +elapsed time for k point: 0.06192135810852051 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10113,7 +10077,7 @@ 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: 0.08392977714538574 +elapsed time for k point: 0.07108640670776367 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10206,7 +10170,7 @@ 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: 0.11822319030761719 +elapsed time for k point: 0.10756754875183105 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -10277,7 +10241,7 @@ 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: 0.09773516654968262 +elapsed time for k point: 0.08097100257873535 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10338,7 +10302,7 @@ 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: 0.08301949501037598 +elapsed time for k point: 0.06870317459106445 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10391,7 +10355,7 @@ 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: 0.07668304443359375 +elapsed time for k point: 0.0590052604675293 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10443,7 +10407,7 @@ 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: 0.08412003517150879 +elapsed time for k point: 0.05812573432922363 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10495,7 +10459,7 @@ 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: 0.08581352233886719 +elapsed time for k point: 0.05988264083862305 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10536,7 +10500,7 @@ 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: 0.0640707015991211 +elapsed time for k point: 0.04694318771362305 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10583,7 +10547,7 @@ 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: 0.07578301429748535 +elapsed time for k point: 0.052484750747680664 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10646,7 +10610,7 @@ 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: 0.09418034553527832 +elapsed time for k point: 0.07301473617553711 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10719,7 +10683,7 @@ 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: 0.12514781951904297 +elapsed time for k point: 0.08318352699279785 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -10914,7 +10878,7 @@ 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: 0.21486163139343262 +elapsed time for k point: 0.1511838436126709 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 +10890,14 @@ 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: 1.888174057006836 +total elapsed time for run: 1.4200959205627441 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/meepcMDAt0/test_compute_integrals-0: 1.89s +./tmp/meepGo7UOK/test_compute_integrals-0: 1.42s -/tmp/meepcMDAt0/test_diamond-0 +/tmp/meepGo7UOK/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance @@ -10993,7 +10957,7 @@ 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: 0.02448272705078125 +elapsed time for initialization: 0.023941516876220703 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 +11074,7 @@ 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: 0.3180215358734131 +elapsed time for k point: 0.2661147117614746 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11184,7 +11148,7 @@ 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: 0.21215319633483887 +elapsed time for k point: 0.16800355911254883 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11249,7 +11213,7 @@ 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: 0.17975330352783203 +elapsed time for k point: 0.1485292911529541 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11312,7 +11276,7 @@ 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: 0.18560218811035156 +elapsed time for k point: 0.14323997497558594 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11373,7 +11337,7 @@ 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: 0.17236804962158203 +elapsed time for k point: 0.13867497444152832 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11472,26 +11436,26 @@ 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: 0.2635657787322998 +elapsed time for k point: 0.22337889671325684 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/meepcMDAt0/test_diamond-0-dpwr.k06.b01.h5... +Outputting /tmp/meepGo7UOK/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/meepcMDAt0/test_diamond-0-dpwr.k06.b02.h5... +Outputting /tmp/meepGo7UOK/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/meepcMDAt0/test_diamond-0-dpwr.k06.b03.h5... +Outputting /tmp/meepGo7UOK/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/meepcMDAt0/test_diamond-0-dpwr.k06.b04.h5... +Outputting /tmp/meepGo7UOK/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/meepcMDAt0/test_diamond-0-dpwr.k06.b05.h5... +Outputting /tmp/meepGo7UOK/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 +11550,7 @@ 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: 0.2655818462371826 +elapsed time for k point: 0.21808362007141113 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11795,7 +11759,7 @@ 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: 0.5981299877166748 +elapsed time for k point: 0.486924409866333 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11856,7 +11820,7 @@ 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: 0.18372035026550293 +elapsed time for k point: 0.1443171501159668 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11915,7 +11879,7 @@ 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: 0.18656587600708008 +elapsed time for k point: 0.13381361961364746 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11970,7 +11934,7 @@ 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: 0.16419529914855957 +elapsed time for k point: 0.1239171028137207 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12021,7 +11985,7 @@ 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: 0.14758729934692383 +elapsed time for k point: 0.11425280570983887 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. @@ -12074,7 +12038,7 @@ 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: 0.12786579132080078 +elapsed time for k point: 0.11899232864379883 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. @@ -12137,7 +12101,7 @@ 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: 0.13618040084838867 +elapsed time for k point: 0.14313149452209473 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -12220,7 +12184,7 @@ 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: 0.1846451759338379 +elapsed time for k point: 0.19196414947509766 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. @@ -12285,7 +12249,7 @@ 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: 0.07245945930480957 +elapsed time for k point: 0.0766754150390625 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -12348,7 +12312,7 @@ 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: 0.13549399375915527 +elapsed time for k point: 0.14388704299926758 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 7 iterations. @@ -12417,7 +12381,7 @@ 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: 0.15752005577087402 +elapsed time for k point: 0.1575782299041748 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -12825,7 +12789,7 @@ 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: 1.0299451351165771 +elapsed time for k point: 0.9699990749359131 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13062,7 +13026,7 @@ 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: 0.5393288135528564 +elapsed time for k point: 0.5430221557617188 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13143,7 +13107,7 @@ 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: 0.19058442115783691 +elapsed time for k point: 0.19207024574279785 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13259,7 +13223,7 @@ 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: 0.2497396469116211 +elapsed time for k point: 0.26763224601745605 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13348,7 +13312,7 @@ 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: 0.2110297679901123 +elapsed time for k point: 0.20569872856140137 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13440,7 +13404,7 @@ 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: 0.21585536003112793 +elapsed time for k point: 0.21338200569152832 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13532,7 +13496,7 @@ 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: 0.23274588584899902 +elapsed time for k point: 0.21001100540161133 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13691,7 +13655,7 @@ 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: 0.36182260513305664 +elapsed time for k point: 0.35798001289367676 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13780,7 +13744,7 @@ 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: 0.21080517768859863 +elapsed time for k point: 0.2099461555480957 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13845,7 +13809,7 @@ 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: 0.16863632202148438 +elapsed time for k point: 0.14894986152648926 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13916,7 +13880,7 @@ 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: 0.1625518798828125 +elapsed time for k point: 0.1628401279449463 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13999,7 +13963,7 @@ 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: 0.191633939743042 +elapsed time for k point: 0.19133830070495605 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -14115,18 +14079,18 @@ 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: 0.24940943717956543 +Felapsed time for k point: 0.2642655372619629 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: 7.745356798171997 +total elapsed time for run: 7.1134419441223145 done -/tmp/meepcMDAt0/test_diamond-0: 7.75s +/tmp/meepGo7UOK/test_diamond-0: 7.12s -/tmp/meepcMDAt0/test_epsilon_input_file-0 +/tmp/meepGo7UOK/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -14168,7 +14132,7 @@ 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: 0.0016798973083496094 +elapsed time for initialization: 0.0016856193542480469 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 +14261,7 @@ 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: 0.0909266471862793 +elapsed time for k point: 0.09951233863830566 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14346,7 +14310,7 @@ 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: 0.057435035705566406 +elapsed time for k point: 0.053403615951538086 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14389,7 +14353,7 @@ 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: 0.04798173904418945 +elapsed time for k point: 0.0462343692779541 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14436,7 +14400,7 @@ 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: 0.04950881004333496 +elapsed time for k point: 0.05093574523925781 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14489,7 +14453,7 @@ 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: 0.059648990631103516 +elapsed time for k point: 0.05786013603210449 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14560,7 +14524,7 @@ 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: 0.1033170223236084 +elapsed time for k point: 0.07886695861816406 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14615,7 +14579,7 @@ 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: 0.06337881088256836 +elapsed time for k point: 0.06039309501647949 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14664,7 +14628,7 @@ 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: 0.062026262283325195 +elapsed time for k point: 0.05335807800292969 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14703,7 +14667,7 @@ 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: 0.052828073501586914 +elapsed time for k point: 0.041684865951538086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14740,7 +14704,7 @@ 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: 0.05372428894042969 +elapsed time for k point: 0.03936004638671875 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -14777,7 +14741,7 @@ 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: 0.052117347717285156 +elapsed time for k point: 0.039452314376831055 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14814,7 +14778,7 @@ 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: 0.0532534122467041 +elapsed time for k point: 0.039736270904541016 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14859,7 +14823,7 @@ 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: 0.07203984260559082 +elapsed time for k point: 0.05040240287780762 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14914,7 +14878,7 @@ 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: 0.07572174072265625 +elapsed time for k point: 0.06399774551391602 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14973,7 +14937,7 @@ 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: 0.08360862731933594 +elapsed time for k point: 0.06915807723999023 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -15051,7 +15015,7 @@ 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: 0.05417490005493164 +F.elapsed time for k point: 0.0636136531829834 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 +15027,15 @@ 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: 1.0345795154571533 +total elapsed time for run: 0.910376787185669 done -/tmp/meepcMDAt0/test_epsilon_input_file-0: 1.04s +/tmp/meepGo7UOK/test_epsilon_input_file-0: 0.91s -/tmp/meepcMDAt0/test_first_brillouin_zone-0 +/tmp/meepGo7UOK/test_first_brillouin_zone-0 ======================== -/tmp/meepcMDAt0/test_first_brillouin_zone-0: 0.08s +/tmp/meepGo7UOK/test_first_brillouin_zone-0: 0.10s -/tmp/meepcMDAt0/test_fractional_lattice-0 +/tmp/meepGo7UOK/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15114,7 +15078,7 @@ 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: 0.0003147125244140625 +elapsed time for initialization: 0.00024247169494628906 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... @@ -15123,147 +15087,147 @@ 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 53.6585%) + switching to approximate line minimization (decrease time by 52%) iteration 3: trace = 83.34611109428172 (0.603338% change) iteration 4: trace = 83.33359978597156 (0.0150124% change) iteration 5: trace = 83.33333949085095 (0.000312354% change) iteration 6: trace = 83.33333352466074 (7.15943e-06% change) + switching back to exact line minimization iteration 7: trace = 83.3333333365708 (2.25708e-07% change) - iteration 8: trace = 83.33333333338271 (3.82571e-09% change) - iteration 9: trace = 83.33333333333447 (5.7895e-11% change) + linmin: converged after 2 iterations. + iteration 8: trace = 83.3333333333829 (3.82549e-09% change) + linmin: converged after 2 iterations. + iteration 9: trace = 83.33333333333489 (5.76051e-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: 0.0014939308166503906 +elapsed time for k point: 0.0014553070068359375 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... - linmin: converged after 10 iterations. + linmin: converged after 11 iterations. iteration 1: trace = 82.33333333334653 (0.722248% change) linmin: converged after 2 iterations. - iteration 2: trace = 82.33333333333383 (1.54306e-11% change) + iteration 2: trace = 82.3333333333338 (1.54651e-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: 0.0008075237274169922 +elapsed time for k point: 0.0009293556213378906 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) + iteration 1: trace = 82.66666666666669 (6.53241e-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: 0.00012230873107910156 +elapsed time for k point: 0.00017762184143066406 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) + iteration 1: trace = 84.33333333333336 (3.37016e-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: 0.0001270771026611328 +elapsed time for k point: 0.00014281272888183594 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 87.33333333333334 (0% change) + iteration 1: trace = 87.33333333333334 (1.6272e-14% 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: 0.00012230873107910156 +elapsed time for k point: 0.00014638900756835938 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... - linmin: converged after 47 iterations. - iteration 1: trace = 91.66666666666666 (0% change) + linmin: converged after 44 iterations. + iteration 1: trace = 91.66666666666667 (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: 0.0002925395965576172 +elapsed time for k point: 0.0003769397735595703 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 66.1538%) - 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) + switching to approximate line minimization (decrease time by 63.0137%) + iteration 1: trace = 90.66666666667807 (3.571% change) + iteration 2: trace = 90.66666677321074 (1.17499e-07% change) + iteration 3: trace = 90.66666666666674 (1.17512e-07% change) + iteration 4: trace = 90.66666666666667 (7.83687e-14% 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: 0.000247955322265625 +elapsed time for k point: 0.00032639503479003906 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) + iteration 1: trace = 91.00000000000001 (0% 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: 0.00011801719665527344 +elapsed time for k point: 0.0001800060272216797 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 60%) - iteration 1: trace = 92.66666666666669 (1.53355e-14% change) + linmin: converged after 1 iterations. + iteration 1: trace = 92.66666666666667 (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: 0.00014281272888183594 +elapsed time for k point: 0.00016069412231445312 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 60%) - iteration 1: trace = 95.66666666666669 (2.97091e-14% change) + linmin: converged after 5 iterations. + switching to approximate line minimization (decrease time by 61.1765%) + iteration 1: trace = 95.66666666666667 (1.48546e-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: 0.0001442432403564453 +elapsed time for k point: 0.00020503997802734375 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) + linmin: converged after 1 iterations. + iteration 1: trace = 100 (1.42109e-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: 0.00028443336486816406 +elapsed time for k point: 0.00014352798461914062 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) + linmin: converged after 5 iterations. + switching to approximate line minimization (decrease time by 53.4483%) + iteration 1: trace = 91.33333333333334 (0% 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: 0.00011849403381347656 +elapsed time for k point: 0.0001571178436279297 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 55.5556%) - iteration 1: trace = 85.33333333333334 (0% change) + linmin: converged after 1 iterations. + iteration 1: trace = 85.33333333333333 (3.33067e-14% 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: 0.0001308917999267578 +elapsed time for k point: 0.00019288063049316406 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 56%) - iteration 1: trace = 82 (0% change) + linmin: converged after 4 iterations. + iteration 1: trace = 81.99999999999999 (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: 0.00013065338134765625 +elapsed time for k point: 0.00018334388732910156 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 56%) - iteration 1: trace = 81.33333333333333 (1.74724e-14% change) + linmin: converged after 7 iterations. + iteration 1: trace = 81.33333333333333 (0% 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: 0.0001342296600341797 +elapsed time for k point: 0.0001659393310546875 solve_kpoint (0,0,0): Solving for bands 2 to 8... - linmin: converged after 1 iterations. - iteration 1: trace = 83.33333333333331 (0% change) + linmin: converged after 4 iterations. + iteration 1: trace = 83.33333333333334 (3.41061e-14% 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: 0.00011849403381347656 +.elapsed time for k point: 0.0001697540283203125 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> -Band 4 range: 2.0412414523193165 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109032 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> -Band 5 range: 2.886751345948131 at Vector3<0.0, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0> -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: 0.005108833312988281 +Band 2 range: 1.4433756729740665 at Vector3<0.5, 0.0, 0.0> to 2.8867513459481327 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 2.041241452319316 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395134 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 2.041241452319318 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109024 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> +Band 5 range: 2.8867513459481313 at Vector3<0.0, 0.0, 0.0> to 4.564354645876383 at Vector3<0.5, 0.5, 0.0> +Band 6 range: 3.2274861218395188 at Vector3<0.5, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> +Band 7 range: 3.6968455021364752 at Vector3<0.2, 0.0, 0.0> to 4.564354645876389 at Vector3<0.5, 0.5, 0.0> +Band 8 range: 4.08248290463863 at Vector3<0.0, 0.0, 0.0> to 5.204164998665333 at Vector3<0.5, 0.0, 0.0> +total elapsed time for run: 0.005667686462402344 done -/tmp/meepcMDAt0/test_fractional_lattice-0: 0.01s +/tmp/meepGo7UOK/test_fractional_lattice-0: 0.01s -/tmp/meepcMDAt0/test_get_bfield-0 +/tmp/meepGo7UOK/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15306,7 +15270,7 @@ 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: 0.001222848892211914 +elapsed time for initialization: 0.0013208389282226562 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 +15381,7 @@ 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: 0.07976126670837402 +elapsed time for k point: 0.08679699897766113 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15668,7 +15632,7 @@ 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: 0.28516173362731934 +elapsed time for k point: 0.29570937156677246 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15725,7 +15689,7 @@ 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: 0.061120033264160156 +elapsed time for k point: 0.0639955997467041 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15778,7 +15742,7 @@ 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: 0.05579042434692383 +elapsed time for k point: 0.05930304527282715 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15839,7 +15803,7 @@ 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: 0.06538748741149902 +elapsed time for k point: 0.06878328323364258 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15932,7 +15896,7 @@ 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: 0.10091090202331543 +elapsed time for k point: 0.1070702075958252 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -16003,7 +15967,7 @@ 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: 0.0767209529876709 +elapsed time for k point: 0.08071279525756836 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16064,7 +16028,7 @@ 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: 0.06490159034729004 +elapsed time for k point: 0.06918764114379883 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16117,7 +16081,7 @@ 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: 0.05551910400390625 +elapsed time for k point: 0.060094594955444336 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16169,7 +16133,7 @@ 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: 0.05347561836242676 +elapsed time for k point: 0.057333946228027344 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16221,7 +16185,7 @@ 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: 0.053473711013793945 +elapsed time for k point: 0.057074546813964844 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16262,7 +16226,7 @@ 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: 0.04266929626464844 +elapsed time for k point: 0.04534339904785156 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16309,7 +16273,7 @@ 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: 0.04965949058532715 +elapsed time for k point: 0.05219149589538574 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16372,7 +16336,7 @@ 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: 0.06922745704650879 +elapsed time for k point: 0.0750277042388916 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16445,7 +16409,7 @@ 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: 0.079681396484375 +elapsed time for k point: 0.08357357978820801 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -16640,7 +16604,7 @@ 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: 0.15419292449951172 +elapsed time for k point: 0.15287041664123535 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 +16616,12 @@ 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: 1.3500475883483887 +total elapsed time for run: 1.4172894954681396 done Fixing b-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 -./tmp/meepcMDAt0/test_get_bfield-0: 1.35s +./tmp/meepGo7UOK/test_get_bfield-0: 1.42s -/tmp/meepcMDAt0/test_get_dfield-0 +/tmp/meepGo7UOK/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -16700,7 +16664,7 @@ 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: 0.001199483871459961 +elapsed time for initialization: 0.0010867118835449219 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 +16775,7 @@ 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: 0.0829935073852539 +elapsed time for k point: 0.08629083633422852 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17062,7 +17026,7 @@ 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: 0.2755885124206543 +elapsed time for k point: 0.29505014419555664 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17119,7 +17083,7 @@ 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: 0.07294011116027832 +elapsed time for k point: 0.06438994407653809 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17172,7 +17136,7 @@ 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: 0.05790138244628906 +elapsed time for k point: 0.059639930725097656 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17233,7 +17197,7 @@ 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: 0.06480050086975098 +elapsed time for k point: 0.06874275207519531 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17326,7 +17290,7 @@ 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: 0.09995007514953613 +elapsed time for k point: 0.10814476013183594 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17397,7 +17361,7 @@ 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: 0.07542753219604492 +elapsed time for k point: 0.08320975303649902 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17458,7 +17422,7 @@ 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: 0.06461524963378906 +elapsed time for k point: 0.07299041748046875 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17511,7 +17475,7 @@ 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: 0.05566120147705078 +elapsed time for k point: 0.05848264694213867 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17563,7 +17527,7 @@ 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: 0.05357551574707031 +elapsed time for k point: 0.05600738525390625 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17615,7 +17579,7 @@ 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: 0.053256988525390625 +elapsed time for k point: 0.055849552154541016 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17656,7 +17620,7 @@ 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: 0.042287349700927734 +elapsed time for k point: 0.04420757293701172 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17703,7 +17667,7 @@ 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: 0.04880070686340332 +elapsed time for k point: 0.051154375076293945 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17766,7 +17730,7 @@ 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: 0.06708383560180664 +elapsed time for k point: 0.07077789306640625 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17839,7 +17803,7 @@ 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: 0.07821083068847656 +elapsed time for k point: 0.08314752578735352 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -18034,7 +17998,7 @@ 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: 0.13696718215942383 +elapsed time for k point: 0.15292811393737793 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 +18010,12 @@ 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: 1.3324785232543945 +total elapsed time for run: 1.4129135608673096 done Fixing d-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 8.66842 -./tmp/meepcMDAt0/test_get_dfield-0: 1.33s +./tmp/meepGo7UOK/test_get_dfield-0: 1.42s -/tmp/meepcMDAt0/test_get_efield-0 +/tmp/meepGo7UOK/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -18094,7 +18058,7 @@ 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: 0.001110076904296875 +elapsed time for initialization: 0.001104593276977539 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 +18169,7 @@ 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: 0.07695269584655762 +elapsed time for k point: 0.08530926704406738 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18456,7 +18420,7 @@ 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: 0.2733268737792969 +elapsed time for k point: 0.292522668838501 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18513,7 +18477,7 @@ 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: 0.059964895248413086 +elapsed time for k point: 0.06415510177612305 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18566,7 +18530,7 @@ 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: 0.05563664436340332 +elapsed time for k point: 0.061842918395996094 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18627,7 +18591,7 @@ 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: 0.06424164772033691 +elapsed time for k point: 0.06896424293518066 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18720,7 +18684,7 @@ 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: 0.10012030601501465 +elapsed time for k point: 0.10818147659301758 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18791,7 +18755,7 @@ 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: 0.07529020309448242 +elapsed time for k point: 0.0816948413848877 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18852,7 +18816,7 @@ 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: 0.06441330909729004 +elapsed time for k point: 0.07259011268615723 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18905,7 +18869,7 @@ 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: 0.05544590950012207 +elapsed time for k point: 0.0609583854675293 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18957,7 +18921,7 @@ 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: 0.053293704986572266 +elapsed time for k point: 0.05781078338623047 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19009,7 +18973,7 @@ 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: 0.052835702896118164 +elapsed time for k point: 0.05710864067077637 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19050,7 +19014,7 @@ 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: 0.0420382022857666 +elapsed time for k point: 0.04586529731750488 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19097,7 +19061,7 @@ 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: 0.048536062240600586 +elapsed time for k point: 0.05331063270568848 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19160,7 +19124,7 @@ 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: 0.06645989418029785 +elapsed time for k point: 0.07155227661132812 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19233,7 +19197,7 @@ 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: 0.07791996002197266 +elapsed time for k point: 0.08326101303100586 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -19428,7 +19392,7 @@ 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: 0.13623714447021484 +elapsed time for k point: 0.17082619667053223 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 +19404,12 @@ 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: 1.3047640323638916 +total elapsed time for run: 1.4381117820739746 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 -./tmp/meepcMDAt0/test_get_efield-0: 1.31s +./tmp/meepGo7UOK/test_get_efield-0: 1.44s -/tmp/meepcMDAt0/test_get_eigenvectors-0 +/tmp/meepGo7UOK/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -19488,7 +19452,7 @@ 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: 0.0011301040649414062 +elapsed time for initialization: 0.0010993480682373047 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 +19563,7 @@ 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: 0.07704377174377441 +elapsed time for k point: 0.08875679969787598 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 +19822,7 @@ 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: 0.2725636959075928 +elapsed time for k point: 0.3081047534942627 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 +19887,7 @@ 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: 0.0597691535949707 +elapsed time for k point: 0.06455302238464355 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 +19948,7 @@ 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: 0.05529212951660156 +elapsed time for k point: 0.05977797508239746 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 +20017,7 @@ 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: 0.06448531150817871 +elapsed time for k point: 0.07122445106506348 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 +20118,7 @@ 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: 0.10027456283569336 +elapsed time for k point: 0.116363525390625 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 +20197,7 @@ 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: 0.07548809051513672 +elapsed time for k point: 0.0826871395111084 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 +20266,7 @@ 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: 0.06422758102416992 +elapsed time for k point: 0.07236409187316895 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 +20327,7 @@ 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: 0.05528879165649414 +elapsed time for k point: 0.06426310539245605 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 +20387,7 @@ 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: 0.0559232234954834 +elapsed time for k point: 0.07260799407958984 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 +20447,7 @@ 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: 0.05378127098083496 +elapsed time for k point: 0.057141780853271484 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 +20496,7 @@ 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: 0.04268527030944824 +elapsed time for k point: 0.04555487632751465 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 +20551,7 @@ 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: 0.04924607276916504 +elapsed time for k point: 0.06212592124938965 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 +20622,7 @@ 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: 0.06637430191040039 +elapsed time for k point: 0.0838615894317627 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 +20703,7 @@ 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: 0.07767748832702637 +elapsed time for k point: 0.0834653377532959 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 +20906,7 @@ 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: 0.136366605758667 +elapsed time for k point: 0.16822028160095215 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 +20926,11 @@ 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: 1.3149785995483398 +total elapsed time for run: 1.5120470523834229 done -/tmp/meepcMDAt0/test_get_eigenvectors-0: 1.32s +/tmp/meepGo7UOK/test_get_eigenvectors-0: 1.52s -/tmp/meepcMDAt0/test_get_hfield-0 +/tmp/meepGo7UOK/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -21009,7 +20973,7 @@ 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: 0.0011093616485595703 +elapsed time for initialization: 0.0010991096496582031 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 +21084,7 @@ 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: 0.07714438438415527 +elapsed time for k point: 0.08449363708496094 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21371,7 +21335,7 @@ 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: 0.27411842346191406 +elapsed time for k point: 0.2879221439361572 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21428,7 +21392,7 @@ 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: 0.060166358947753906 +elapsed time for k point: 0.06957840919494629 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21481,7 +21445,7 @@ 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: 0.05652737617492676 +elapsed time for k point: 0.05917191505432129 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21542,7 +21506,7 @@ 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: 0.06496119499206543 +elapsed time for k point: 0.06746459007263184 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21635,7 +21599,7 @@ 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: 0.10114574432373047 +elapsed time for k point: 0.10463333129882812 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21706,7 +21670,7 @@ 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: 0.07593989372253418 +elapsed time for k point: 0.07910346984863281 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21767,7 +21731,7 @@ 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: 0.06476473808288574 +elapsed time for k point: 0.06770610809326172 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21820,7 +21784,7 @@ 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: 0.05563497543334961 +elapsed time for k point: 0.058377981185913086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21872,7 +21836,7 @@ 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: 0.05413699150085449 +elapsed time for k point: 0.05587506294250488 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21924,7 +21888,7 @@ 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: 0.05384254455566406 +elapsed time for k point: 0.05590176582336426 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21965,7 +21929,7 @@ 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: 0.04257917404174805 +elapsed time for k point: 0.04419255256652832 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22012,7 +21976,7 @@ 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: 0.04969930648803711 +elapsed time for k point: 0.050798654556274414 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22075,7 +22039,7 @@ 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: 0.06786870956420898 +elapsed time for k point: 0.07300639152526855 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22148,7 +22112,7 @@ 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: 0.0785207748413086 +elapsed time for k point: 0.0904841423034668 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -22343,7 +22307,7 @@ 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: 0.14913678169250488 +elapsed time for k point: 0.1506505012512207 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 +22319,12 @@ 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: 1.3285315036773682 +total elapsed time for run: 1.4012770652770996 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 -./tmp/meepcMDAt0/test_get_hfield-0: 1.33s +./tmp/meepGo7UOK/test_get_hfield-0: 1.40s -/tmp/meepcMDAt0/test_handle_cvector-0 +/tmp/meepGo7UOK/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -22403,7 +22367,7 @@ 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: 0.0012240409851074219 +elapsed time for initialization: 0.0012149810791015625 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 +22422,7 @@ 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: 0.03824567794799805 +elapsed time for k point: 0.041947126388549805 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22499,7 +22463,7 @@ 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: 0.042513370513916016 +elapsed time for k point: 0.04525899887084961 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22534,7 +22498,7 @@ 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: 0.03541898727416992 +elapsed time for k point: 0.037368059158325195 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22567,7 +22531,7 @@ 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: 0.033212900161743164 +elapsed time for k point: 0.03481101989746094 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22598,7 +22562,7 @@ 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: 0.030974388122558594 +elapsed time for k point: 0.03240084648132324 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22629,7 +22593,7 @@ 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: 0.030877351760864258 +elapsed time for k point: 0.03261685371398926 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22658,7 +22622,7 @@ 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: 0.028610706329345703 +elapsed time for k point: 0.030054330825805664 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22687,7 +22651,7 @@ 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: 0.037265777587890625 +elapsed time for k point: 0.029975175857543945 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22712,7 +22676,7 @@ 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: 0.028903484344482422 +elapsed time for k point: 0.025339603424072266 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22737,7 +22701,7 @@ 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: 0.024150848388671875 +elapsed time for k point: 0.02527785301208496 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22760,7 +22724,7 @@ 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: 0.021917104721069336 +elapsed time for k point: 0.022930383682250977 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 +22759,7 @@ 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: 0.026742935180664062 +elapsed time for k point: 0.027598857879638672 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22824,7 +22788,7 @@ 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: 0.028707027435302734 +elapsed time for k point: 0.030074596405029297 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22855,7 +22819,7 @@ 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: 0.030894041061401367 +elapsed time for k point: 0.03234386444091797 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22894,7 +22858,7 @@ 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: 0.04006195068359375 +elapsed time for k point: 0.04182028770446777 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -22931,7 +22895,7 @@ 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: 0.02436542510986328 +elapsed time for k point: 0.026858091354370117 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 +22909,7 @@ 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: 0.50612473487854 +total elapsed time for run: 0.5197911262512207 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -22963,9 +22927,9 @@ imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 -./tmp/meepcMDAt0/test_handle_cvector-0: 0.53s +./tmp/meepGo7UOK/test_handle_cvector-0: 0.54s -/tmp/meepcMDAt0/test_hermitian_eps-0 +/tmp/meepGo7UOK/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance @@ -23003,7 +22967,7 @@ 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: 0.0013265609741210938 +elapsed time for initialization: 0.001443624496459961 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 +27209,7 @@ 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: 6.5481486320495605 +elapsed time for k point: 7.305817127227783 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -30542,7 +30506,7 @@ 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: 5.927743911743164 +elapsed time for k point: 7.2732319831848145 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -33816,7 +33780,7 @@ 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: 6.181488275527954 +elapsed time for k point: 8.547113180160522 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -36643,7 +36607,7 @@ 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: 5.214497089385986 +elapsed time for k point: 5.965210914611816 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -38972,7 +38936,7 @@ 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: 4.345073223114014 +elapsed time for k point: 5.31403374671936 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -40548,7 +40512,7 @@ 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: 2.9144535064697266 +elapsed time for k point: 4.397946357727051 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -41696,7 +41660,7 @@ 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: 2.0957534313201904 +elapsed time for k point: 2.3210558891296387 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -43116,7 +43080,7 @@ 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: 2.6697754859924316 +elapsed time for k point: 2.8826019763946533 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. @@ -45063,7 +45027,7 @@ 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: 3.6043694019317627 +elapsed time for k point: 4.139313459396362 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. @@ -46442,7 +46406,7 @@ 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: 2.169609785079956 +.elapsed time for k point: 2.9845223426818848 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 +46422,11 @@ 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: 41.67319202423096 +total elapsed time for run: 51.13310956954956 done -/tmp/meepcMDAt0/test_hermitian_eps-0: 41.67s +/tmp/meepGo7UOK/test_hermitian_eps-0: 51.13s -/tmp/meepcMDAt0/test_hole_slab-0 +/tmp/meepGo7UOK/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance @@ -46496,7 +46460,7 @@ Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -elapsed time for initialization: 0.0893700122833252 +elapsed time for initialization: 0.11293315887451172 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 +46529,17 @@ 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: 7.925670146942139 -total elapsed time for run: 8.015154600143433 +elapsed time for k point: 8.939943790435791 +total elapsed time for run: 9.053011894226074 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 -FOutputting fields to /tmp/meepcMDAt0/test_hole_slab-0-h.k01.b09.z.zeven.h5... +FOutputting fields to /tmp/meepGo7UOK/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 = 0.25855337419817526 s -/tmp/meepcMDAt0/test_hole_slab-0: 8.03s +mean time per iteration = 0.2920326417492282 s +/tmp/meepGo7UOK/test_hole_slab-0: 9.08s -/tmp/meepcMDAt0/test_honey_rods-0 +/tmp/meepGo7UOK/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -46620,7 +46584,7 @@ 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: 0.0013167858123779297 +elapsed time for initialization: 0.0022649765014648438 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 +46670,7 @@ 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: 0.0566105842590332 +elapsed time for k point: 0.10533022880554199 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46780,7 +46744,7 @@ 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: 0.09017109870910645 +elapsed time for k point: 0.13795876502990723 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46819,7 +46783,7 @@ 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: 0.045610904693603516 +elapsed time for k point: 0.07025623321533203 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46856,7 +46820,7 @@ 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: 0.05007743835449219 +elapsed time for k point: 0.06208992004394531 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46891,7 +46855,7 @@ 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: 0.03542470932006836 +elapsed time for k point: 0.054747581481933594 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46922,7 +46886,7 @@ 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: 0.03386068344116211 +elapsed time for k point: 0.04488539695739746 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46951,7 +46915,7 @@ 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: 0.036534786224365234 +elapsed time for k point: 0.0443882942199707 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46984,7 +46948,7 @@ 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: 0.03837108612060547 +elapsed time for k point: 0.04836225509643555 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47017,7 +46981,7 @@ 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: 0.033461570739746094 +elapsed time for k point: 0.04594278335571289 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47054,7 +47018,7 @@ 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: 0.038874149322509766 +elapsed time for k point: 0.060121774673461914 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47119,7 +47083,7 @@ 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: 0.06583571434020996 +elapsed time for k point: 0.09323835372924805 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47154,7 +47118,7 @@ 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: 0.03664398193359375 +elapsed time for k point: 0.05169844627380371 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47185,7 +47149,7 @@ 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: 0.03156685829162598 +elapsed time for k point: 0.04472017288208008 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47216,7 +47180,7 @@ 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: 0.03156137466430664 +elapsed time for k point: 0.04479026794433594 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47253,7 +47217,7 @@ 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: 0.03821969032287598 +elapsed time for k point: 0.053096771240234375 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -47454,7 +47418,7 @@ 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: 0.14147686958312988 +elapsed time for k point: 0.20296025276184082 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 +47431,7 @@ 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: 0.8064765930175781 +total elapsed time for run: 1.16795015335083 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -47511,7 +47475,7 @@ 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: 0.0013332366943359375 +elapsed time for initialization: 0.0017957687377929688 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 +47677,7 @@ 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: 0.1634993553161621 +elapsed time for k point: 0.19628405570983887 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47818,7 +47782,7 @@ 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: 0.12165403366088867 +elapsed time for k point: 0.1583261489868164 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. @@ -47875,7 +47839,7 @@ 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: 0.06143546104431152 +elapsed time for k point: 0.08366656303405762 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47932,7 +47896,7 @@ 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: 0.06110191345214844 +elapsed time for k point: 0.09536862373352051 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47999,7 +47963,7 @@ 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: 0.07254314422607422 +elapsed time for k point: 0.10398244857788086 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48082,7 +48046,7 @@ 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: 0.11200952529907227 +elapsed time for k point: 0.13909912109375 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48147,7 +48111,7 @@ 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: 0.08077502250671387 +elapsed time for k point: 0.09560608863830566 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48218,7 +48182,7 @@ 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: 0.09686779975891113 +elapsed time for k point: 0.1136009693145752 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48291,7 +48255,7 @@ 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: 0.1181800365447998 +elapsed time for k point: 0.10711526870727539 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48366,7 +48330,7 @@ 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: 0.08403348922729492 +elapsed time for k point: 0.12453675270080566 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48523,7 +48487,7 @@ 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: 0.20642447471618652 +elapsed time for k point: 0.1961650848388672 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48734,7 +48698,7 @@ 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: 0.2316908836364746 +elapsed time for k point: 0.2601602077484131 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48789,7 +48753,7 @@ 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: 0.05788993835449219 +elapsed time for k point: 0.06845903396606445 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48842,7 +48806,7 @@ 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: 0.0689842700958252 +elapsed time for k point: 0.06142544746398926 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48899,7 +48863,7 @@ 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: 0.06299281120300293 +elapsed time for k point: 0.06346607208251953 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -49048,7 +49012,7 @@ 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: 0.1355602741241455 +.elapsed time for k point: 0.11488962173461914 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 +49024,11 @@ 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: 1.7380764484405518 +total elapsed time for run: 1.9847497940063477 done -/tmp/meepcMDAt0/test_honey_rods-0: 2.55s +/tmp/meepGo7UOK/test_honey_rods-0: 3.15s -/tmp/meepcMDAt0/test_line_defect-0 +/tmp/meepGo7UOK/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance @@ -49111,7 +49075,7 @@ 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: 0.009778022766113281 +elapsed time for initialization: 0.009930133819580078 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 +49272,7 @@ 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: 1.0546016693115234 +elapsed time for k point: 1.2636833190917969 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 +49285,18 @@ 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/meepcMDAt0/test_line_defect-0-e.k01.b01.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k01.b02.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k01.b03.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k01.b04.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k01.b05.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k01.b06.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k01.b07.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k01.b08.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k01.b09.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k01.b10.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k01.b11.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k01.b12.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k01.b01.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k01.b02.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k01.b03.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k01.b04.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k01.b05.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k01.b06.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k01.b07.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k01.b08.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k01.b09.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k01.b10.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k01.b11.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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 +49394,7 @@ 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: 0.6372451782226562 +elapsed time for k point: 1.1238152980804443 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 +49407,18 @@ 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/meepcMDAt0/test_line_defect-0-e.k02.b01.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k02.b02.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k02.b03.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k02.b04.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k02.b05.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k02.b06.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k02.b07.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k02.b08.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k02.b09.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k02.b10.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k02.b11.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k02.b12.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k02.b01.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k02.b02.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k02.b03.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k02.b04.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k02.b05.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k02.b06.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k02.b07.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k02.b08.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k02.b09.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k02.b10.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k02.b11.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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 +49508,7 @@ 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: 0.5726039409637451 +elapsed time for k point: 1.030344009399414 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 +49521,18 @@ 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/meepcMDAt0/test_line_defect-0-e.k03.b01.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k03.b02.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k03.b03.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k03.b04.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k03.b05.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k03.b06.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k03.b07.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k03.b08.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k03.b09.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k03.b10.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k03.b11.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k03.b12.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k03.b01.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k03.b02.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k03.b03.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k03.b04.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k03.b05.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k03.b06.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k03.b07.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k03.b08.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k03.b09.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k03.b10.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k03.b11.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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 +49754,7 @@ 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: 1.4791984558105469 +elapsed time for k point: 1.7210123538970947 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 +49767,18 @@ 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/meepcMDAt0/test_line_defect-0-e.k04.b01.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k04.b02.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k04.b03.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k04.b04.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k04.b05.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k04.b06.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k04.b07.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k04.b08.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k04.b09.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k04.b10.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k04.b11.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k04.b12.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k04.b01.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k04.b02.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k04.b03.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k04.b04.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k04.b05.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k04.b06.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k04.b07.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k04.b08.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k04.b09.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k04.b10.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k04.b11.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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 +49940,7 @@ 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: 1.0665178298950195 +elapsed time for k point: 1.1582536697387695 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 +49953,18 @@ 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/meepcMDAt0/test_line_defect-0-e.k05.b01.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k05.b02.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k05.b03.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k05.b04.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k05.b05.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k05.b06.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k05.b07.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k05.b08.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k05.b09.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k05.b10.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k05.b11.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k05.b12.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k05.b01.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k05.b02.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k05.b03.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k05.b04.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k05.b05.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k05.b06.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k05.b07.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k05.b08.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k05.b09.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k05.b10.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k05.b11.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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 +50020,7 @@ 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: 0.32517457008361816 +elapsed time for k point: 0.3535938262939453 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 +50033,18 @@ 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/meepcMDAt0/test_line_defect-0-e.k06.b01.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k06.b02.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k06.b03.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k06.b04.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k06.b05.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k06.b06.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k06.b07.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k06.b08.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k06.b09.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k06.b10.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k06.b11.z.tm.h5... -Outputting fields to /tmp/meepcMDAt0/test_line_defect-0-e.k06.b12.z.tm.h5... +..Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k06.b01.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k06.b02.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k06.b03.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k06.b04.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k06.b05.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k06.b06.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k06.b07.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k06.b08.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k06.b09.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k06.b10.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/test_line_defect-0-e.k06.b11.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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 +50059,15 @@ 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: 5.27760124206543 +total elapsed time for run: 6.854640960693359 done -/tmp/meepcMDAt0/test_line_defect-0: 5.28s +/tmp/meepGo7UOK/test_line_defect-0: 6.86s -/tmp/meepcMDAt0/test_list_split-0 +/tmp/meepGo7UOK/test_list_split-0 ======================== -/tmp/meepcMDAt0/test_list_split-0: 0.00s +/tmp/meepGo7UOK/test_list_split-0: 0.00s -/tmp/meepcMDAt0/test_load_and_save_eigenvectors-0 +/tmp/meepGo7UOK/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -50146,7 +50110,7 @@ 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: 0.0011501312255859375 +elapsed time for initialization: 0.00113677978515625 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 +50221,7 @@ 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: 0.10638785362243652 +elapsed time for k point: 0.10574722290039062 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50508,7 +50472,7 @@ 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: 0.34969449043273926 +elapsed time for k point: 0.2936577796936035 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50565,7 +50529,7 @@ 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: 0.08075785636901855 +elapsed time for k point: 0.06558966636657715 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50618,7 +50582,7 @@ 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: 0.08285403251647949 +elapsed time for k point: 0.059914350509643555 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50679,7 +50643,7 @@ 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: 0.08698749542236328 +elapsed time for k point: 0.06948995590209961 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50772,7 +50736,7 @@ 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: 0.12837457656860352 +elapsed time for k point: 0.10796928405761719 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50843,7 +50807,7 @@ 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: 0.09854269027709961 +elapsed time for k point: 0.08128476142883301 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50904,7 +50868,7 @@ 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: 0.08004426956176758 +elapsed time for k point: 0.0691232681274414 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50957,7 +50921,7 @@ 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: 0.06508040428161621 +elapsed time for k point: 0.0594174861907959 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51009,7 +50973,7 @@ 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: 0.05486941337585449 +elapsed time for k point: 0.056971073150634766 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51061,7 +51025,7 @@ 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: 0.06441760063171387 +elapsed time for k point: 0.056737661361694336 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51102,7 +51066,7 @@ 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: 0.06027650833129883 +elapsed time for k point: 0.04801034927368164 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51149,7 +51113,7 @@ 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: 0.060866355895996094 +elapsed time for k point: 0.05232596397399902 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51212,7 +51176,7 @@ 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: 0.08916568756103516 +elapsed time for k point: 0.08875131607055664 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51285,7 +51249,7 @@ 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: 0.09592366218566895 +elapsed time for k point: 0.1067659854888916 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -51480,7 +51444,7 @@ 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: 0.19330930709838867 +elapsed time for k point: 0.2219069004058838 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 +51456,7 @@ 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: 1.6998605728149414 +total elapsed time for run: 1.5456910133361816 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -51534,7 +51498,7 @@ 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: 0.0011336803436279297 +elapsed time for initialization: 0.0015544891357421875 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 +51609,7 @@ 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: 0.08062219619750977 +elapsed time for k point: 0.1171407699584961 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -51896,7 +51860,7 @@ 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: 0.30124831199645996 +elapsed time for k point: 0.408475399017334 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51953,7 +51917,7 @@ 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: 0.07777714729309082 +elapsed time for k point: 0.0844876766204834 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52006,7 +51970,7 @@ 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: 0.07053422927856445 +elapsed time for k point: 0.07738184928894043 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52067,7 +52031,7 @@ 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: 0.08932375907897949 +elapsed time for k point: 0.09022903442382812 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52160,7 +52124,7 @@ 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: 0.13073182106018066 +elapsed time for k point: 0.14326167106628418 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -52231,7 +52195,7 @@ 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: 0.08707332611083984 +elapsed time for k point: 0.1085350513458252 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52292,7 +52256,7 @@ 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: 0.08025050163269043 +elapsed time for k point: 0.10402417182922363 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52345,7 +52309,7 @@ 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: 0.06982874870300293 +elapsed time for k point: 0.08127880096435547 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52397,7 +52361,7 @@ 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: 0.07155203819274902 +elapsed time for k point: 0.07763242721557617 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52449,7 +52413,7 @@ 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: 0.07454371452331543 +elapsed time for k point: 0.0771188735961914 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52490,7 +52454,7 @@ 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: 0.05061793327331543 +elapsed time for k point: 0.06000185012817383 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52537,7 +52501,7 @@ 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: 0.06107687950134277 +elapsed time for k point: 0.07389354705810547 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52600,7 +52564,7 @@ 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: 0.0861051082611084 +elapsed time for k point: 0.09721946716308594 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52673,7 +52637,7 @@ 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: 0.09961199760437012 +elapsed time for k point: 0.1142737865447998 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -52868,7 +52832,7 @@ 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: 0.18967366218566895 +.elapsed time for k point: 0.2511899471282959 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 +52844,11 @@ 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: 1.6229124069213867 +total elapsed time for run: 1.9688730239868164 done -/tmp/meepcMDAt0/test_load_and_save_eigenvectors-0: 3.33s +/tmp/meepGo7UOK/test_load_and_save_eigenvectors-0: 3.52s -/tmp/meepcMDAt0/test_maximize_first_tm_gap-0 +/tmp/meepGo7UOK/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -52927,7 +52891,7 @@ 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: 0.0033223628997802734 +elapsed time for initialization: 0.0013577938079833984 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 +52930,7 @@ 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: 0.0030906200408935547 +elapsed time for k point: 0.004095554351806641 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -53033,7 +52997,7 @@ 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: 0.018399715423583984 +elapsed time for k point: 0.013788938522338867 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53056,7 +53020,7 @@ 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: 0.0030059814453125 +elapsed time for k point: 0.004350900650024414 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53079,7 +53043,7 @@ 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: 0.003041505813598633 +elapsed time for k point: 0.004353761672973633 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53100,7 +53064,7 @@ 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: 0.0042285919189453125 +elapsed time for k point: 0.0038950443267822266 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53121,7 +53085,7 @@ 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: 0.0037870407104492188 +elapsed time for k point: 0.003992557525634766 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. @@ -53142,7 +53106,7 @@ 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: 0.003813505172729492 +elapsed time for k point: 0.0038857460021972656 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53163,7 +53127,7 @@ 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: 0.002787351608276367 +elapsed time for k point: 0.004059553146362305 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53184,7 +53148,7 @@ 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: 0.003918647766113281 +elapsed time for k point: 0.004014492034912109 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -53207,7 +53171,7 @@ 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: 0.0030884742736816406 +elapsed time for k point: 0.004542827606201172 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53230,7 +53194,7 @@ 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: 0.004052639007568359 +elapsed time for k point: 0.004227161407470703 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53272,7 +53236,7 @@ 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: 0.005579948425292969 +elapsed time for k point: 0.007637739181518555 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53295,7 +53259,7 @@ 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: 0.006003618240356445 +elapsed time for k point: 0.004339933395385742 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53318,7 +53282,7 @@ 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: 0.003052949905395508 +elapsed time for k point: 0.004453182220458984 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -53343,7 +53307,7 @@ 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: 0.0033884048461914062 +elapsed time for k point: 0.00478363037109375 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. @@ -53372,11 +53336,11 @@ 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: 0.002198457717895508 +elapsed time for k point: 0.0032651424407958984 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: 0.07708477973937988 +total elapsed time for run: 0.08146166801452637 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53418,7 +53382,7 @@ 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: 0.0014908313751220703 +elapsed time for initialization: 0.0019345283508300781 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 +53423,7 @@ 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: 0.003227710723876953 +elapsed time for k point: 0.0043370723724365234 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -53490,178 +53454,187 @@ linmin: converged after 5 iterations. iteration 13: trace = 0.1274080628431376 (0.00035869% change) linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 53.112%) iteration 14: trace = 0.1274079792683518 (6.55962e-05% change) - iteration 15: trace = 0.1274079726496715 (5.19487e-06% change) - iteration 16: trace = 0.1274079698065601 (2.2315e-06% change) - iteration 17: trace = 0.1274079642234348 (4.38208e-06% change) - iteration 18: trace = 0.1274079624508642 (1.39126e-06% change) - iteration 19: trace = 0.1274079623181564 (1.0416e-07% change) - iteration 20: trace = 0.1274079622926153 (2.00467e-08% change) - iteration 21: trace = 0.1274079622441193 (3.80636e-08% change) - iteration 22: trace = 0.1274079622155756 (2.24034e-08% change) - iteration 23: trace = 0.1274079622132399 (1.83326e-09% change) - iteration 24: trace = 0.1274079622129715 (2.10637e-10% change) - switching back to exact line minimization - iteration 25: trace = 0.1274079622125845 (3.03767e-10% change) + linmin: converged after 5 iterations. + iteration 15: trace = 0.1274079726496691 (5.19487e-06% change) + linmin: converged after 4 iterations. + iteration 16: trace = 0.1274079698066937 (2.2314e-06% change) + linmin: converged after 12 iterations. + iteration 17: trace = 0.1274079642225557 (4.38288e-06% change) + linmin: converged after 2 iterations. + iteration 18: trace = 0.1274079624507169 (1.39068e-06% change) + linmin: converged after 3 iterations. + iteration 19: trace = 0.127407962318043 (1.04133e-07% change) linmin: converged after 4 iterations. - iteration 26: trace = 0.1274079622122141 (2.90675e-10% change) + iteration 20: trace = 0.1274079622925221 (2.00308e-08% change) + linmin: converged after 6 iterations. + iteration 21: trace = 0.1274079622440875 (3.80154e-08% change) linmin: converged after 4 iterations. - iteration 27: trace = 0.1274079622121584 (4.37657e-11% change) + iteration 22: trace = 0.1274079622155688 (2.23838e-08% change) + linmin: converged after 3 iterations. + iteration 23: trace = 0.1274079622132367 (1.83038e-09% change) + linmin: converged after 3 iterations. + iteration 24: trace = 0.1274079622129682 (2.10812e-10% change) + linmin: converged after 4 iterations. + iteration 25: trace = 0.1274079622125828 (3.0246e-10% change) + linmin: converged after 21 iterations. + iteration 26: trace = 0.1274079622122124 (2.9074e-10% change) + linmin: converged after 3 iterations. + 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: 0.014019966125488281 +elapsed time for k point: 0.012359142303466797 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... - linmin: converged after 9 iterations. - iteration 1: trace = 0.1175895698985775 (8.46358% change) + linmin: converged after 7 iterations. + iteration 1: trace = 0.1175895698992929 (8.46358% change) linmin: converged after 5 iterations. - iteration 2: trace = 0.1169854373383433 (0.515087% change) + iteration 2: trace = 0.1169854373382666 (0.515087% change) linmin: converged after 4 iterations. - iteration 3: trace = 0.1169634629343725 (0.0187856% change) + iteration 3: trace = 0.1169634629343674 (0.0187856% change) linmin: converged after 4 iterations. - iteration 4: trace = 0.1169624287919834 (0.000884162% change) + iteration 4: trace = 0.1169624287919833 (0.000884162% change) + linmin: converged after 17 iterations. + iteration 5: trace = 0.1169623892439101 (3.38126e-05% change) linmin: converged after 6 iterations. - iteration 5: trace = 0.1169623892439102 (3.38126e-05% change) - linmin: converged after 3 iterations. - iteration 6: trace = 0.1169623870108738 (1.90919e-06% change) - linmin: converged after 30 iterations. - iteration 7: trace = 0.1169623869324881 (6.70178e-08% change) - linmin: converged after 2 iterations. - iteration 8: trace = 0.1169623869302094 (1.94819e-09% change) - linmin: converged after 3 iterations. - iteration 9: trace = 0.1169623869301463 (5.39628e-11% change) + iteration 6: trace = 0.1169623870108744 (1.90919e-06% change) + linmin: converged after 4 iterations. + iteration 7: trace = 0.1169623869324879 (6.70185e-08% change) + linmin: converged after 7 iterations. + iteration 8: trace = 0.1169623869302094 (1.94808e-09% change) + linmin: converged after 4 iterations. + 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: 0.006625175476074219 +elapsed time for k point: 0.004231929779052734 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. - iteration 1: trace = 0.1076617181330962 (7.39497% change) + iteration 1: trace = 0.1076617181330979 (7.39497% change) linmin: converged after 4 iterations. - iteration 2: trace = 0.1074867217773462 (0.162675% change) + iteration 2: trace = 0.1074867217773469 (0.162675% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1074797532363016 (0.00648337% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1074794560989981 (0.000276459% change) linmin: converged after 2 iterations. - iteration 5: trace = 0.1074794492025647 (6.41651e-06% change) - linmin: converged after 6 iterations. - iteration 6: trace = 0.1074794489996317 (1.88811e-07% change) - linmin: converged after 3 iterations. - iteration 7: trace = 0.1074794489927401 (6.41207e-09% change) - linmin: converged after 3 iterations. - iteration 8: trace = 0.1074794489925576 (1.69793e-10% change) - linmin: converged after 5 iterations. - iteration 9: trace = 0.1074794489925543 (3.02142e-12% change) + iteration 5: trace = 0.107479449202565 (6.41651e-06% change) + linmin: converged after 2 iterations. + iteration 6: trace = 0.1074794489996316 (1.88811e-07% change) + linmin: converged after 2 iterations. + iteration 7: trace = 0.10747944899274 (6.41203e-09% change) + linmin: converged after 4 iterations. + iteration 8: trace = 0.1074794489925577 (1.69613e-10% change) + linmin: converged after 4 iterations. + 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: 0.0031011104583740234 +elapsed time for k point: 0.004303932189941406 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. - iteration 1: trace = 0.1014137083501614 (7.0899% change) - linmin: converged after 3 iterations. - iteration 2: trace = 0.1013434149944226 (0.0693375% change) + iteration 1: trace = 0.101413708350161 (7.0899% change) linmin: converged after 3 iterations. - iteration 3: trace = 0.1013402349806176 (0.00313791% change) + iteration 2: trace = 0.1013434149944227 (0.0693375% change) + linmin: converged after 5 iterations. + iteration 3: trace = 0.1013402349806177 (0.00313791% change) + linmin: converged after 4 iterations. + iteration 4: trace = 0.1013401302210901 (0.000103374% change) + linmin: converged after 2 iterations. + iteration 5: trace = 0.1013401281880725 (2.00613e-06% change) linmin: converged after 4 iterations. - iteration 4: trace = 0.1013401302210902 (0.000103374% change) - linmin: converged after 3 iterations. - iteration 5: trace = 0.1013401281880724 (2.00613e-06% change) - linmin: converged after 3 iterations. iteration 6: trace = 0.101340128149123 (3.84344e-08% change) + linmin: converged after 5 iterations. + iteration 7: trace = 0.1013401281478893 (1.21745e-09% change) linmin: converged after 3 iterations. - iteration 7: trace = 0.1013401281478893 (1.21737e-09% change) - linmin: converged after 4 iterations. - iteration 8: trace = 0.1013401281478578 (3.11134e-11% change) + 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: 0.004042863845825195 +elapsed time for k point: 0.003997087478637695 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. - iteration 1: trace = 0.09929517146312494 (6.9708% change) + iteration 1: trace = 0.09929517146312489 (6.9708% change) linmin: converged after 3 iterations. - iteration 2: trace = 0.09924752556066034 (0.0479956% change) + iteration 2: trace = 0.0992475255606603 (0.0479956% change) linmin: converged after 3 iterations. - iteration 3: trace = 0.09924547743477757 (0.00206368% change) - linmin: converged after 2 iterations. - iteration 4: trace = 0.09924540340840851 (7.45892e-05% change) - linmin: converged after 2 iterations. - iteration 5: trace = 0.09924540237232149 (1.04396e-06% change) - linmin: converged after 25 iterations. - iteration 6: trace = 0.09924540235031711 (2.21717e-08% change) + iteration 3: trace = 0.09924547743477763 (0.00206368% change) linmin: converged after 2 iterations. - iteration 7: trace = 0.09924540234966153 (6.60557e-10% change) + iteration 4: trace = 0.09924540340840848 (7.45892e-05% change) linmin: converged after 2 iterations. - iteration 8: trace = 0.09924540234965071 (1.0907e-11% change) + iteration 5: trace = 0.0992454023723215 (1.04396e-06% change) + linmin: converged after 3 iterations. + iteration 6: trace = 0.09924540235031681 (2.2172e-08% change) + linmin: converged after 10 iterations. + iteration 7: trace = 0.09924540234966142 (6.60376e-10% change) + linmin: converged after 4 iterations. + 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: 0.004035234451293945 +elapsed time for k point: 0.0038886070251464844 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. - iteration 1: trace = 0.1023748756355369 (0.938618% change) + iteration 1: trace = 0.102374875635537 (0.938618% change) linmin: converged after 4 iterations. - iteration 2: trace = 0.1023448300984101 (0.0293529% change) + iteration 2: trace = 0.10234483009841 (0.0293529% change) linmin: converged after 4 iterations. - iteration 3: trace = 0.1023441319883404 (0.000682118% change) - linmin: converged after 11 iterations. - iteration 4: trace = 0.1023441118540879 (1.96731e-05% change) + iteration 3: trace = 0.1023441319883403 (0.000682118% change) + linmin: converged after 21 iterations. + iteration 4: trace = 0.102344111854088 (1.96731e-05% change) linmin: converged after 4 iterations. - iteration 5: trace = 0.1023441112170791 (6.22419e-07% change) + iteration 5: trace = 0.1023441112170789 (6.22419e-07% change) linmin: converged after 2 iterations. - iteration 6: trace = 0.102344111210816 (6.11955e-09% change) - linmin: converged after 2 iterations. - iteration 7: trace = 0.1023441112106438 (1.68279e-10% change) + iteration 6: trace = 0.102344111210816 (6.11943e-09% change) + linmin: converged after 3 iterations. + iteration 7: trace = 0.1023441112106435 (1.68631e-10% change) linmin: converged after 2 iterations. - iteration 8: trace = 0.1023441112106414 (2.33231e-12% change) + 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: 0.00275421142578125 +elapsed time for k point: 0.003897428512573242 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. - iteration 1: trace = 0.1111648725369493 (1.70677% change) + iteration 1: trace = 0.1111648725369512 (1.70677% change) linmin: converged after 4 iterations. - iteration 2: trace = 0.1111022041294543 (0.0563902% change) + iteration 2: trace = 0.1111022041294544 (0.0563902% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1111005428817411 (0.00149525% change) - linmin: converged after 12 iterations. + linmin: converged after 3 iterations. iteration 4: trace = 0.1111004887965007 (4.86814e-05% change) - linmin: converged after 4 iterations. + linmin: converged after 12 iterations. iteration 5: trace = 0.1111004875283869 (1.14141e-06% change) linmin: converged after 2 iterations. - iteration 6: trace = 0.1111004875048889 (2.11502e-08% change) + iteration 6: trace = 0.1111004875048887 (2.11504e-08% change) linmin: converged after 2 iterations. - iteration 7: trace = 0.1111004875044871 (3.61633e-10% change) - linmin: converged after 3 iterations. - iteration 8: trace = 0.1111004875044772 (8.9437e-12% change) + iteration 7: trace = 0.1111004875044872 (3.61458e-10% change) + linmin: converged after 4 iterations. + 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: 0.002671480178833008 +elapsed time for k point: 0.004018306732177734 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. - iteration 1: trace = 0.1238434803056964 (3.06251% change) + iteration 1: trace = 0.1238434803056937 (3.06251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1236602488077914 (0.148064% change) linmin: converged after 4 iterations. - iteration 3: trace = 0.1236554311291923 (0.00389598% change) - linmin: converged after 4 iterations. + iteration 3: trace = 0.1236554311291922 (0.00389598% change) + linmin: converged after 5 iterations. iteration 4: trace = 0.1236552618867514 (0.000136866% change) linmin: converged after 3 iterations. - iteration 5: trace = 0.1236552585512287 (2.69744e-06% change) + iteration 5: trace = 0.1236552585512288 (2.69744e-06% change) linmin: converged after 2 iterations. - iteration 6: trace = 0.1236552584722957 (6.38331e-08% change) + iteration 6: trace = 0.1236552584722957 (6.38332e-08% change) linmin: converged after 2 iterations. - iteration 7: trace = 0.1236552584710226 (1.02957e-09% change) - linmin: converged after 4 iterations. - iteration 8: trace = 0.1236552584709826 (3.23558e-11% change) + iteration 7: trace = 0.1236552584710226 (1.02949e-09% change) + linmin: converged after 2 iterations. + 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: 0.0027565956115722656 +elapsed time for k point: 0.010022401809692383 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53670,200 +53643,198 @@ iteration 2: trace = 0.1360353991956018 (0.404025% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1360216616314291 (0.010099% change) - linmin: converged after 4 iterations. + linmin: converged after 3 iterations. iteration 4: trace = 0.1360211293759798 (0.000391303% change) - linmin: converged after 6 iterations. - iteration 5: trace = 0.1360211177483541 (8.5484e-06% change) + linmin: converged after 3 iterations. + iteration 5: trace = 0.136021117748354 (8.5484e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1360211172989073 (3.30424e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.136021117275474 (1.72277e-08% change) linmin: converged after 3 iterations. - iteration 8: trace = 0.1360211172747933 (5.00461e-10% change) - linmin: converged after 8 iterations. - iteration 9: trace = 0.1360211172747792 (1.03251e-11% change) + iteration 8: trace = 0.1360211172747934 (5.0038e-10% change) + linmin: converged after 3 iterations. + 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: 0.004682779312133789 +elapsed time for k point: 0.004192352294921875 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1427907515851958 (7.20068% change) linmin: converged after 5 iterations. - iteration 2: trace = 0.1416129588617777 (0.828254% change) + iteration 2: trace = 0.1416129588617778 (0.828254% change) linmin: converged after 4 iterations. - iteration 3: trace = 0.1415842924679496 (0.0202448% change) - linmin: converged after 4 iterations. - iteration 4: trace = 0.1415827791943139 (0.00106882% change) + iteration 3: trace = 0.1415842924679495 (0.0202448% change) + linmin: converged after 5 iterations. + iteration 4: trace = 0.141582779194314 (0.00106882% change) linmin: converged after 2 iterations. - iteration 5: trace = 0.1415827277312479 (3.63484e-05% change) + iteration 5: trace = 0.1415827277312478 (3.63484e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1415827249602425 (1.95716e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1415827248205369 (9.86742e-08% change) - linmin: converged after 4 iterations. - iteration 8: trace = 0.1415827248187983 (1.228e-09% change) - linmin: converged after 4 iterations. - iteration 9: trace = 0.1415827248187514 (3.30716e-11% change) + linmin: converged after 2 iterations. + iteration 8: trace = 0.1415827248187983 (1.22796e-09% change) + linmin: converged after 7 iterations. + 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: 0.004241943359375 +elapsed time for k point: 0.004233121871948242 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. - iteration 1: trace = 0.139128512598051 (10.1029% change) + iteration 1: trace = 0.1391285125980508 (10.1029% change) linmin: converged after 4 iterations. - iteration 2: trace = 0.1378170044816252 (0.947124% change) + iteration 2: trace = 0.1378170044816253 (0.947124% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1377216292272727 (0.0692282% change) large trace change predicted (0.351976%) linmin: converged after 6 iterations. - iteration 4: trace = 0.1372856158281963 (0.317092% change) + iteration 4: trace = 0.1372856158281961 (0.317092% change) linmin: converged after 6 iterations. - iteration 5: trace = 0.1366576168038858 (0.458488% change) + iteration 5: trace = 0.1366576168038857 (0.458488% change) linmin: converged after 4 iterations. - iteration 6: trace = 0.1366119030153258 (0.0334569% change) + iteration 6: trace = 0.1366119030153259 (0.0334569% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1366103217876671 (0.00115747% change) - linmin: converged after 5 iterations. + linmin: converged after 4 iterations. iteration 8: trace = 0.1366097453256682 (0.000421976% change) large trace change predicted (0.0013334%) - linmin: converged after 12 iterations. - iteration 9: trace = 0.136607921789377 (0.00133486% change) - linmin: converged after 6 iterations. - iteration 10: trace = 0.1366070298222038 (0.000652942% change) + linmin: converged after 8 iterations. + iteration 9: trace = 0.1366079217893785 (0.00133486% change) + linmin: converged after 4 iterations. + iteration 10: trace = 0.1366070298222035 (0.000652942% change) linmin: converged after 5 iterations. - iteration 11: trace = 0.1366069869567211 (3.13787e-05% change) + iteration 11: trace = 0.1366069869567214 (3.13787e-05% change) linmin: converged after 2 iterations. - iteration 12: trace = 0.1366069853872578 (1.14889e-06% change) - linmin: converged after 4 iterations. - iteration 13: trace = 0.1366069843523763 (7.57561e-07% change) + iteration 12: trace = 0.1366069853872576 (1.14889e-06% change) + linmin: converged after 3 iterations. + iteration 13: trace = 0.1366069843523761 (7.57561e-07% change) large trace change predicted (2.51115e-06%) - linmin: converged after 28 iterations. - iteration 14: trace = 0.1366069809219604 (2.51116e-06% change) + linmin: converged after 16 iterations. + iteration 14: trace = 0.1366069809219603 (2.51116e-06% change) linmin: converged after 2 iterations. - iteration 15: trace = 0.1366069801728972 (5.48335e-07% change) + iteration 15: trace = 0.1366069801728949 (5.48336e-07% change) linmin: converged after 2 iterations. - iteration 16: trace = 0.1366069801486567 (1.77447e-08% change) + iteration 16: trace = 0.1366069801486546 (1.77445e-08% change) linmin: converged after 2 iterations. - iteration 17: trace = 0.1366069801469437 (1.25394e-09% change) - linmin: converged after 3 iterations. - iteration 18: trace = 0.1366069801444111 (1.85396e-09% change) + iteration 17: trace = 0.1366069801469425 (1.25329e-09% change) linmin: converged after 4 iterations. - iteration 19: trace = 0.1366069801394005 (3.66788e-09% change) - linmin: converged after 5 iterations. - iteration 20: trace = 0.1366069801387248 (4.94658e-10% change) + iteration 18: trace = 0.13660698014441 (1.85386e-09% change) + linmin: converged after 2 iterations. + iteration 19: trace = 0.1366069801394008 (3.66686e-09% change) linmin: converged after 3 iterations. - iteration 21: trace = 0.1366069801386996 (1.84283e-11% change) + iteration 20: trace = 0.1366069801387246 (4.94983e-10% change) + linmin: converged after 6 iterations. + 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: 0.009287118911743164 +elapsed time for k point: 0.009308338165283203 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. - iteration 1: trace = 0.128847733021202 (10.0415% change) + iteration 1: trace = 0.1288477330211958 (10.0415% change) linmin: converged after 5 iterations. - iteration 2: trace = 0.1283196778719534 (0.41067% change) + iteration 2: trace = 0.1283196778719536 (0.41067% change) linmin: converged after 4 iterations. - iteration 3: trace = 0.1283049547472064 (0.0114744% change) + iteration 3: trace = 0.1283049547472061 (0.0114744% change) linmin: converged after 4 iterations. - iteration 4: trace = 0.128304489820598 (0.000362361% change) + iteration 4: trace = 0.1283044898205977 (0.000362361% change) linmin: converged after 2 iterations. - iteration 5: trace = 0.1283044779202522 (9.27508e-06% change) + iteration 5: trace = 0.1283044779202521 (9.27508e-06% change) linmin: converged after 2 iterations. - iteration 6: trace = 0.1283044775632081 (2.78279e-07% change) - linmin: converged after 3 iterations. - iteration 7: trace = 0.1283044775566788 (5.08889e-09% change) + iteration 6: trace = 0.1283044775632082 (2.78279e-07% change) linmin: converged after 2 iterations. - iteration 8: trace = 0.1283044775564041 (2.14076e-10% change) - linmin: converged after 3 iterations. - iteration 9: trace = 0.1283044775563504 (4.18591e-11% change) + iteration 7: trace = 0.1283044775566787 (5.08902e-09% change) + linmin: converged after 4 iterations. + iteration 8: trace = 0.1283044775564041 (2.14033e-10% change) + linmin: converged after 4 iterations. + 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: 0.006329059600830078 +elapsed time for k point: 0.004152536392211914 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. - iteration 1: trace = 0.1253721759990495 (8.44741% change) + iteration 1: trace = 0.1253721759989881 (8.44741% change) linmin: converged after 4 iterations. - iteration 2: trace = 0.1250731667431222 (0.238782% change) + iteration 2: trace = 0.1250731667431211 (0.238782% change) linmin: converged after 4 iterations. - iteration 3: trace = 0.1250655728028866 (0.00607178% change) + iteration 3: trace = 0.1250655728028865 (0.00607178% change) linmin: converged after 2 iterations. - iteration 4: trace = 0.1250652918569694 (0.000224639% change) - linmin: converged after 14 iterations. + iteration 4: trace = 0.1250652918569695 (0.000224639% change) + linmin: converged after 3 iterations. iteration 5: trace = 0.125065286813738 (4.03248e-06% change) linmin: converged after 3 iterations. - iteration 6: trace = 0.1250652866511764 (1.29981e-07% change) + iteration 6: trace = 0.1250652866511766 (1.29981e-07% change) + linmin: converged after 2 iterations. + iteration 7: trace = 0.1250652866473551 (3.05563e-09% change) linmin: converged after 3 iterations. - iteration 7: trace = 0.1250652866473552 (3.05536e-09% change) - linmin: converged after 4 iterations. - iteration 8: trace = 0.1250652866471706 (1.47583e-10% change) - linmin: converged after 4 iterations. - iteration 9: trace = 0.1250652866471593 (9.0103e-12% change) + iteration 8: trace = 0.1250652866471705 (1.4756e-10% change) + linmin: converged after 5 iterations. + 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: 0.0030901432037353516 +elapsed time for k point: 0.0041925907135009766 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. - iteration 1: trace = 0.1294353344754176 (8.78986% change) + iteration 1: trace = 0.1294353344754086 (8.78986% change) linmin: converged after 4 iterations. - iteration 2: trace = 0.1287958675499602 (0.495267% change) + iteration 2: trace = 0.1287958675499594 (0.495267% change) + linmin: converged after 3 iterations. + iteration 3: trace = 0.128744497849947 (0.0398925% change) linmin: converged after 3 iterations. - iteration 3: trace = 0.1287444978499471 (0.0398925% change) + iteration 4: trace = 0.1287432352198241 (0.00098073% change) linmin: converged after 3 iterations. - iteration 4: trace = 0.1287432352198243 (0.00098073% change) + iteration 5: trace = 0.1287431529997967 (6.38636e-05% change) linmin: converged after 4 iterations. - iteration 5: trace = 0.1287431529997966 (6.38636e-05% change) - linmin: converged after 5 iterations. - iteration 6: trace = 0.1287431505713932 (1.88624e-06% change) + iteration 6: trace = 0.1287431505713931 (1.88624e-06% change) linmin: converged after 2 iterations. - iteration 7: trace = 0.128743150465753 (8.2055e-08% change) - linmin: converged after 4 iterations. - iteration 8: trace = 0.1287431504623988 (2.60535e-09% change) - linmin: converged after 4 iterations. - iteration 9: trace = 0.1287431504622696 (1.00335e-10% change) - linmin: converged after 7 iterations. - iteration 10: trace = 0.1287431504622532 (1.27413e-11% change) -Finished solving for bands 1 to 2 after 10 iterations. + iteration 7: trace = 0.1287431504657534 (8.20547e-08% change) + linmin: converged after 2 iterations. + iteration 8: trace = 0.1287431504623984 (2.60597e-09% change) + linmin: converged after 9 iterations. + 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: 0.004580974578857422 +elapsed time for k point: 0.011787891387939453 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. - iteration 1: trace = 0.136652452813869 (4.3465% change) + iteration 1: trace = 0.1366524581134822 (4.3465% change) linmin: converged after 5 iterations. - iteration 2: trace = 0.1330957022297226 (2.63709% change) + iteration 2: trace = 0.133095702821382 (2.63709% change) linmin: converged after 4 iterations. - iteration 3: trace = 0.1326683867051783 (0.321575% change) + iteration 3: trace = 0.1326683867029242 (0.321576% change) linmin: converged after 4 iterations. - iteration 4: trace = 0.132658510855706 (0.00744429% change) + iteration 4: trace = 0.1326585108523272 (0.00744429% change) linmin: converged after 4 iterations. - iteration 5: trace = 0.1326532168394093 (0.00399079% change) + iteration 5: trace = 0.1326532168393765 (0.00399079% change) linmin: converged after 4 iterations. - iteration 6: trace = 0.1326529644658379 (0.000190251% change) + iteration 6: trace = 0.1326529644658704 (0.000190251% change) linmin: converged after 2 iterations. - iteration 7: trace = 0.1326529514654884 (9.80027e-06% change) + iteration 7: trace = 0.1326529514655155 (9.80028e-06% change) linmin: converged after 2 iterations. - iteration 8: trace = 0.1326529455151906 (4.48561e-06% change) + iteration 8: trace = 0.1326529455152224 (4.48561e-06% change) linmin: converged after 2 iterations. - iteration 9: trace = 0.1326529452761939 (1.80167e-07% change) + iteration 9: trace = 0.1326529452762264 (1.80166e-07% change) linmin: converged after 2 iterations. - iteration 10: trace = 0.1326529452645752 (8.75872e-09% change) + iteration 10: trace = 0.132652945264607 (8.75921e-09% change) linmin: converged after 2 iterations. - iteration 11: trace = 0.1326529452609719 (2.71632e-09% change) - linmin: converged after 4 iterations. - iteration 12: trace = 0.1326529452608376 (1.0127e-10% change) + iteration 11: trace = 0.1326529452610045 (2.71578e-09% change) + linmin: converged after 3 iterations. + iteration 12: trace = 0.1326529452608697 (1.01583e-10% change) linmin: converged after 3 iterations. - iteration 13: trace = 0.1326529452607796 (4.36672e-11% change) + 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: 0.0036301612854003906 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21862256910517533 at Vector3<0.5, 0.5, 0.0> -Band 2 range: 0.25999614437474916 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458249 at Vector3<0.0, 0.0, 0.0> -Gap from band 1 (0.21862256910517533) to band 2 (0.25999614437474916), 17.288741164655374% -total elapsed time for run: 0.08091855049133301 +elapsed time for k point: 0.0033850669860839844 +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: 0.09466361999511719 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53905,7 +53876,7 @@ 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: 0.0009429454803466797 +elapsed time for initialization: 0.0012438297271728516 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... @@ -53952,7 +53923,7 @@ 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: 0.0036504268646240234 +elapsed time for k point: 0.005061149597167969 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53989,7 +53960,7 @@ 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: 0.005391359329223633 +elapsed time for k point: 0.007267951965332031 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54014,7 +53985,7 @@ 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: 0.0051229000091552734 +elapsed time for k point: 0.004776477813720703 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54037,7 +54008,7 @@ 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: 0.004084587097167969 +elapsed time for k point: 0.004340648651123047 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54058,7 +54029,7 @@ 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: 0.004055976867675781 +elapsed time for k point: 0.0038797855377197266 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -54079,7 +54050,7 @@ 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: 0.002763509750366211 +elapsed time for k point: 0.0037577152252197266 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54100,7 +54071,7 @@ 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: 0.007124185562133789 +elapsed time for k point: 0.009385347366333008 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54121,7 +54092,7 @@ 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: 0.002755403518676758 +elapsed time for k point: 0.004828214645385742 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54142,7 +54113,7 @@ 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: 0.00740504264831543 +elapsed time for k point: 0.0038335323333740234 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -54165,7 +54136,7 @@ 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: 0.0031223297119140625 +elapsed time for k point: 0.004216432571411133 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54188,7 +54159,7 @@ 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: 0.0030503273010253906 +elapsed time for k point: 0.004240274429321289 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54227,7 +54198,7 @@ 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: 0.005768775939941406 +elapsed time for k point: 0.010305643081665039 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54250,7 +54221,7 @@ 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: 0.004153251647949219 +elapsed time for k point: 0.004406452178955078 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54275,7 +54246,7 @@ 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: 0.004510402679443359 +elapsed time for k point: 0.004653453826904297 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -54302,7 +54273,7 @@ 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: 0.006237506866455078 +elapsed time for k point: 0.0062007904052734375 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 8 iterations. @@ -54339,11 +54310,11 @@ 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: 0.006392002105712891 +elapsed time for k point: 0.0039560794830322266 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: 0.07693076133728027 +total elapsed time for run: 0.0867304801940918 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -54385,7 +54356,7 @@ 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: 0.001046895980834961 +elapsed time for initialization: 0.001247406005859375 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... @@ -54420,7 +54391,7 @@ 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: 0.002676725387573242 +elapsed time for k point: 0.0035657882690429688 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54445,7 +54416,7 @@ 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: 0.004650115966796875 +elapsed time for k point: 0.004739284515380859 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -54470,7 +54441,7 @@ 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: 0.004209280014038086 +elapsed time for k point: 0.004810333251953125 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -54495,7 +54466,7 @@ 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: 0.003415346145629883 +elapsed time for k point: 0.004776716232299805 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54518,7 +54489,7 @@ 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: 0.0030584335327148438 +elapsed time for k point: 0.004281044006347656 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54539,7 +54510,7 @@ 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: 0.002760171890258789 +elapsed time for k point: 0.003871440887451172 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54560,7 +54531,7 @@ 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: 0.0026748180389404297 +elapsed time for k point: 0.0037734508514404297 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54581,7 +54552,7 @@ 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: 0.004729509353637695 +elapsed time for k point: 0.0038118362426757812 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54602,7 +54573,7 @@ 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: 0.004106044769287109 +elapsed time for k point: 0.003935813903808594 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54627,7 +54598,7 @@ 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: 0.00461268424987793 +elapsed time for k point: 0.0047495365142822266 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54652,7 +54623,7 @@ 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: 0.004530668258666992 +elapsed time for k point: 0.004736661911010742 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54691,7 +54662,7 @@ 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: 0.006773233413696289 +elapsed time for k point: 0.0076465606689453125 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54714,7 +54685,7 @@ 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: 0.003990650177001953 +elapsed time for k point: 0.004219532012939453 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54739,7 +54710,7 @@ 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: 0.003318309783935547 +elapsed time for k point: 0.00474095344543457 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54764,7 +54735,7 @@ 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: 0.004759311676025391 +elapsed time for k point: 0.004606962203979492 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. @@ -54793,15 +54764,15 @@ 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: 0.0034334659576416016 +.elapsed time for k point: 0.003038167953491211 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: 0.06512451171875 +total elapsed time for run: 0.07292771339416504 done -/tmp/meepcMDAt0/test_maximize_first_tm_gap-0: 0.30s +/tmp/meepGo7UOK/test_maximize_first_tm_gap-0: 0.34s -/tmp/meepcMDAt0/test_multiply_bloch_in_mpb_data-0 +/tmp/meepGo7UOK/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -54844,7 +54815,7 @@ 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: 0.001116037368774414 +elapsed time for initialization: 0.0014460086822509766 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... @@ -54955,7 +54926,7 @@ 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: 0.11222696304321289 +elapsed time for k point: 0.11236262321472168 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55206,7 +55177,7 @@ 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: 0.35595083236694336 +elapsed time for k point: 0.3471660614013672 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55263,7 +55234,7 @@ 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: 0.09099078178405762 +elapsed time for k point: 0.06825518608093262 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55316,7 +55287,7 @@ 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: 0.07125997543334961 +elapsed time for k point: 0.060706377029418945 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55377,7 +55348,7 @@ 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: 0.08679080009460449 +elapsed time for k point: 0.07000899314880371 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55470,7 +55441,7 @@ 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: 0.13042593002319336 +elapsed time for k point: 0.11035299301147461 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55541,7 +55512,7 @@ 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: 0.0849313735961914 +elapsed time for k point: 0.08291816711425781 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55602,7 +55573,7 @@ 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: 0.07669949531555176 +elapsed time for k point: 0.07049274444580078 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55655,7 +55626,7 @@ 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: 0.07276344299316406 +elapsed time for k point: 0.06049847602844238 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55707,7 +55678,7 @@ 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: 0.06087994575500488 +elapsed time for k point: 0.05839419364929199 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55759,7 +55730,7 @@ 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: 0.07366347312927246 +elapsed time for k point: 0.06027841567993164 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55800,7 +55771,7 @@ 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: 0.04503607749938965 +elapsed time for k point: 0.04578137397766113 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55847,7 +55818,7 @@ 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: 0.05068635940551758 +elapsed time for k point: 0.05395960807800293 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55910,7 +55881,7 @@ 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: 0.08110594749450684 +elapsed time for k point: 0.0743398666381836 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55983,7 +55954,7 @@ 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: 0.1213843822479248 +elapsed time for k point: 0.08477616310119629 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -56178,7 +56149,7 @@ 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: 0.2107696533203125 +elapsed time for k point: 0.15625953674316406 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> @@ -56190,7 +56161,7 @@ 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: 1.7277278900146484 +total elapsed time for run: 1.5189220905303955 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -56239,7 +56210,7 @@ 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: 0.0011258125305175781 +elapsed time for initialization: 0.0011196136474609375 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... @@ -56350,7 +56321,7 @@ 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: 0.11415386199951172 +elapsed time for k point: 0.08833718299865723 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56601,7 +56572,7 @@ 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: 0.3627815246582031 +elapsed time for k point: 0.2983400821685791 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56658,7 +56629,7 @@ 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: 0.0732259750366211 +elapsed time for k point: 0.06604886054992676 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56711,7 +56682,7 @@ 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: 0.07097721099853516 +elapsed time for k point: 0.06115221977233887 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56772,7 +56743,7 @@ 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: 0.0709540843963623 +elapsed time for k point: 0.07171106338500977 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56865,7 +56836,7 @@ 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: 0.10498499870300293 +elapsed time for k point: 0.10977435111999512 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56936,7 +56907,7 @@ 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: 0.07747149467468262 +elapsed time for k point: 0.08276152610778809 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56997,7 +56968,7 @@ 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: 0.06642389297485352 +elapsed time for k point: 0.07049369812011719 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57050,7 +57021,7 @@ 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: 0.056740522384643555 +elapsed time for k point: 0.06043124198913574 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57102,7 +57073,7 @@ 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: 0.05463838577270508 +elapsed time for k point: 0.058219194412231445 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57154,7 +57125,7 @@ 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: 0.05436873435974121 +elapsed time for k point: 0.05784797668457031 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57195,7 +57166,7 @@ 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: 0.06265592575073242 +elapsed time for k point: 0.04715776443481445 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57242,7 +57213,7 @@ 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: 0.06538724899291992 +elapsed time for k point: 0.0536959171295166 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57305,7 +57276,7 @@ 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: 0.07825231552124023 +elapsed time for k point: 0.07285189628601074 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57378,7 +57349,7 @@ 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: 0.10606718063354492 +elapsed time for k point: 0.08513522148132324 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -57573,7 +57544,7 @@ 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: 0.18717098236083984 +elapsed time for k point: 0.16106200218200684 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> @@ -57585,7 +57556,7 @@ 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: 1.6085140705108643 +total elapsed time for run: 1.4470791816711426 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -57594,9 +57565,9 @@ imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 -./tmp/meepcMDAt0/test_multiply_bloch_in_mpb_data-0: 3.37s +./tmp/meepGo7UOK/test_multiply_bloch_in_mpb_data-0: 3.01s -/tmp/meepcMDAt0/test_multiply_bloch_phase-0 +/tmp/meepGo7UOK/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -57639,7 +57610,7 @@ 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: 0.002091646194458008 +elapsed time for initialization: 0.0011200904846191406 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... @@ -57750,7 +57721,7 @@ 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: 0.10230779647827148 +elapsed time for k point: 0.09320807456970215 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58001,7 +57972,7 @@ 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: 0.35285305976867676 +elapsed time for k point: 0.3104870319366455 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58058,7 +58029,7 @@ 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: 0.06607460975646973 +elapsed time for k point: 0.06703948974609375 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58111,7 +58082,7 @@ 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: 0.05728507041931152 +elapsed time for k point: 0.06255602836608887 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58172,7 +58143,7 @@ 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: 0.06635308265686035 +elapsed time for k point: 0.07161498069763184 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58265,7 +58236,7 @@ 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: 0.13647699356079102 +elapsed time for k point: 0.11070895195007324 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58336,7 +58307,7 @@ 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: 0.10102987289428711 +elapsed time for k point: 0.08604264259338379 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58397,7 +58368,7 @@ 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: 0.08604860305786133 +elapsed time for k point: 0.07164216041564941 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58450,7 +58421,7 @@ 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: 0.06605672836303711 +elapsed time for k point: 0.060930490493774414 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58502,7 +58473,7 @@ 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: 0.054872751235961914 +elapsed time for k point: 0.0582578182220459 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58554,7 +58525,7 @@ 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: 0.0546567440032959 +elapsed time for k point: 0.05811810493469238 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58595,7 +58566,7 @@ 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: 0.04340672492980957 +elapsed time for k point: 0.045981407165527344 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58642,7 +58613,7 @@ 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: 0.050350189208984375 +elapsed time for k point: 0.05347561836242676 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58705,7 +58676,7 @@ 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: 0.06930875778198242 +elapsed time for k point: 0.07303953170776367 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58778,7 +58749,7 @@ 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: 0.08099031448364258 +elapsed time for k point: 0.08532524108886719 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -58973,7 +58944,7 @@ 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: 0.14374709129333496 +elapsed time for k point: 0.1585829257965088 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> @@ -58985,12 +58956,12 @@ 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: 1.5349411964416504 +total elapsed time for run: 1.468949317932129 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 -./tmp/meepcMDAt0/test_multiply_bloch_phase-0: 1.54s +./tmp/meepGo7UOK/test_multiply_bloch_phase-0: 1.47s -/tmp/meepcMDAt0/test_output_charge_density-0 +/tmp/meepGo7UOK/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -59033,7 +59004,7 @@ 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: 0.0011715888977050781 +elapsed time for initialization: 0.0011284351348876953 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... @@ -59144,7 +59115,7 @@ 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: 0.08162641525268555 +elapsed time for k point: 0.08911609649658203 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59395,7 +59366,7 @@ 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: 0.28752684593200684 +elapsed time for k point: 0.3003652095794678 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59452,7 +59423,7 @@ 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: 0.0630648136138916 +elapsed time for k point: 0.0650477409362793 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59505,7 +59476,7 @@ 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: 0.058260440826416016 +elapsed time for k point: 0.06098175048828125 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59566,7 +59537,7 @@ 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: 0.06786799430847168 +elapsed time for k point: 0.07182955741882324 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59659,7 +59630,7 @@ 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: 0.10510778427124023 +elapsed time for k point: 0.11026525497436523 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59730,7 +59701,7 @@ 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: 0.07863593101501465 +elapsed time for k point: 0.1639270782470703 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59791,7 +59762,7 @@ 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: 0.06703782081604004 +elapsed time for k point: 0.07118511199951172 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59844,7 +59815,7 @@ 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: 0.05753779411315918 +elapsed time for k point: 0.06294894218444824 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59896,7 +59867,7 @@ 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: 0.05544686317443848 +elapsed time for k point: 0.06007027626037598 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59948,7 +59919,7 @@ 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: 0.05520796775817871 +elapsed time for k point: 0.061553001403808594 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59989,7 +59960,7 @@ 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: 0.0439605712890625 +elapsed time for k point: 0.04695415496826172 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60036,7 +60007,7 @@ 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: 0.050891876220703125 +elapsed time for k point: 0.05732274055480957 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60099,7 +60070,7 @@ 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: 0.06964778900146484 +elapsed time for k point: 0.07270550727844238 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60172,7 +60143,7 @@ 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: 0.08100152015686035 +elapsed time for k point: 0.08620429039001465 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -60367,7 +60338,7 @@ 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: 0.14393329620361328 +elapsed time for k point: 0.1804180145263672 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> @@ -60379,13 +60350,13 @@ 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: 1.3690407276153564 +total elapsed time for run: 1.5633091926574707 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 -.Outputting complex scalar field to /tmp/meepcMDAt0/test_output_charge_density-0-C.k16.b08.te.h5... -/tmp/meepcMDAt0/test_output_charge_density-0: 1.37s +.Outputting complex scalar field to /tmp/meepGo7UOK/test_output_charge_density-0-C.k16.b08.te.h5... +/tmp/meepGo7UOK/test_output_charge_density-0: 1.57s -/tmp/meepcMDAt0/test_output_dpwr_in_objects-0 +/tmp/meepGo7UOK/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -60428,7 +60399,7 @@ 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: 0.001131296157836914 +elapsed time for initialization: 0.001552581787109375 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... @@ -60539,12 +60510,12 @@ 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: 0.07908272743225098 +elapsed time for k point: 0.09615635871887207 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/meepcMDAt0/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... +Outputting fields to /tmp/meepGo7UOK/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 @@ -60807,7 +60778,7 @@ 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: 0.27867984771728516 +elapsed time for k point: 0.3695688247680664 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 @@ -60880,7 +60851,7 @@ 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: 0.061333656311035156 +elapsed time for k point: 0.0843803882598877 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 @@ -60949,7 +60920,7 @@ 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: 0.05772900581359863 +elapsed time for k point: 0.07894754409790039 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 @@ -61026,7 +60997,7 @@ 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: 0.06672787666320801 +elapsed time for k point: 0.10036158561706543 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 @@ -61135,7 +61106,7 @@ 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: 0.10295367240905762 +elapsed time for k point: 0.1447620391845703 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 @@ -61222,7 +61193,7 @@ 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: 0.07757306098937988 +elapsed time for k point: 0.1061553955078125 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 @@ -61299,7 +61270,7 @@ 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: 0.08150291442871094 +elapsed time for k point: 0.09402012825012207 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 @@ -61368,7 +61339,7 @@ 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: 0.06177210807800293 +elapsed time for k point: 0.0773308277130127 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 @@ -61436,7 +61407,7 @@ 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: 0.059923648834228516 +elapsed time for k point: 0.07426786422729492 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 @@ -61504,7 +61475,7 @@ 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: 0.05540728569030762 +elapsed time for k point: 0.07505917549133301 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 @@ -61561,7 +61532,7 @@ 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: 0.043694257736206055 +elapsed time for k point: 0.05874323844909668 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 @@ -61624,7 +61595,7 @@ 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: 0.05068659782409668 +elapsed time for k point: 0.07070684432983398 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 @@ -61703,7 +61674,7 @@ 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: 0.06949138641357422 +elapsed time for k point: 0.09461474418640137 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 @@ -61792,7 +61763,7 @@ 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: 0.10971975326538086 +elapsed time for k point: 0.11470985412597656 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 @@ -62003,12 +61974,12 @@ 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: 0.18003296852111816 +elapsed time for k point: 0.19380402565002441 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/meepcMDAt0/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... +Outputting fields to /tmp/meepGo7UOK/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 @@ -62032,11 +62003,11 @@ 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: 1.520432949066162 +total elapsed time for run: 1.9358115196228027 done -/tmp/meepcMDAt0/test_output_dpwr_in_objects-0: 1.52s +/tmp/meepGo7UOK/test_output_dpwr_in_objects-0: 1.94s -/tmp/meepcMDAt0/test_output_efield_z-0 +/tmp/meepGo7UOK/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62079,7 +62050,7 @@ 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: 0.002529621124267578 +elapsed time for initialization: 0.0013208389282226562 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... @@ -62215,7 +62186,7 @@ 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: 0.14210796356201172 +elapsed time for k point: 0.11290812492370605 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62266,7 +62237,7 @@ 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: 0.06699562072753906 +elapsed time for k point: 0.05978035926818848 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -62297,7 +62268,7 @@ 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: 0.039287567138671875 +elapsed time for k point: 0.0335080623626709 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62328,7 +62299,7 @@ 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: 0.03302454948425293 +elapsed time for k point: 0.03419923782348633 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62359,7 +62330,7 @@ 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: 0.03168988227844238 +elapsed time for k point: 0.04010939598083496 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62390,7 +62361,7 @@ 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: 0.03173947334289551 +elapsed time for k point: 0.03689432144165039 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62419,7 +62390,7 @@ 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: 0.029561519622802734 +elapsed time for k point: 0.03260970115661621 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62446,7 +62417,7 @@ 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: 0.027048587799072266 +elapsed time for k point: 0.030318498611450195 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62475,7 +62446,7 @@ 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: 0.02946615219116211 +elapsed time for k point: 0.03321242332458496 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62508,7 +62479,7 @@ 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: 0.03399991989135742 +elapsed time for k point: 0.056680917739868164 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62543,7 +62514,7 @@ 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: 0.04451417922973633 +elapsed time for k point: 0.07053446769714355 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62580,7 +62551,7 @@ 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: 0.04722738265991211 +elapsed time for k point: 0.07119035720825195 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62609,7 +62580,7 @@ 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: 0.0358424186706543 +elapsed time for k point: 0.05380749702453613 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62638,7 +62609,7 @@ 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: 0.029637813568115234 +elapsed time for k point: 0.054192543029785156 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62671,7 +62642,7 @@ 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: 0.040201425552368164 +elapsed time for k point: 0.05998373031616211 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -62803,7 +62774,7 @@ 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: 0.11456179618835449 +elapsed time for k point: 0.1630704402923584 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> @@ -62814,13 +62785,13 @@ 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: 0.7803328037261963 +total elapsed time for run: 0.9453935623168945 done Fixing e-field (band 8) phase by 2.45827e-08 + -1i; max ampl. = 1.49941 -.Outputting fields to /tmp/meepcMDAt0/test_output_efield_z-0-e.k16.b08.z.tm.h5... -/tmp/meepcMDAt0/test_output_efield_z-0: 0.78s +.Outputting fields to /tmp/meepGo7UOK/test_output_efield_z-0-e.k16.b08.z.tm.h5... +/tmp/meepGo7UOK/test_output_efield_z-0: 0.95s -/tmp/meepcMDAt0/test_output_field_to_file-0 +/tmp/meepGo7UOK/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62863,7 +62834,7 @@ 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: 0.0018737316131591797 +elapsed time for initialization: 0.001935720443725586 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... @@ -62974,7 +62945,7 @@ 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: 0.09786081314086914 +elapsed time for k point: 0.14730238914489746 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63225,7 +63196,7 @@ 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: 0.3628256320953369 +elapsed time for k point: 0.48119354248046875 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63282,7 +63253,7 @@ 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: 0.06326007843017578 +elapsed time for k point: 0.10537052154541016 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63335,7 +63306,7 @@ 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: 0.05799150466918945 +elapsed time for k point: 0.10947155952453613 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63396,7 +63367,7 @@ 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: 0.0678243637084961 +elapsed time for k point: 0.12224078178405762 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63489,7 +63460,7 @@ 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: 0.10599279403686523 +elapsed time for k point: 0.15586495399475098 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63560,7 +63531,7 @@ 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: 0.0943450927734375 +elapsed time for k point: 0.09519362449645996 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63621,7 +63592,7 @@ 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: 0.07729315757751465 +elapsed time for k point: 0.07550621032714844 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63674,7 +63645,7 @@ 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: 0.07487154006958008 +elapsed time for k point: 0.06260561943054199 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63726,7 +63697,7 @@ 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: 0.05570864677429199 +elapsed time for k point: 0.07121157646179199 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63778,7 +63749,7 @@ 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: 0.0672464370727539 +elapsed time for k point: 0.06632542610168457 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63819,7 +63790,7 @@ 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: 0.056319475173950195 +elapsed time for k point: 0.05786705017089844 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63866,7 +63837,7 @@ 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: 0.050342559814453125 +elapsed time for k point: 0.07313919067382812 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63929,7 +63900,7 @@ 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: 0.08367919921875 +elapsed time for k point: 0.07689929008483887 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64002,7 +63973,7 @@ 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: 0.0931539535522461 +elapsed time for k point: 0.09591412544250488 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -64197,7 +64168,7 @@ 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: 0.29140377044677734 +elapsed time for k point: 0.1728065013885498 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> @@ -64209,13 +64180,13 @@ 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: 1.7030940055847168 +total elapsed time for run: 1.9721403121948242 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepcMDAt0/test_output_field_to_file-0-epsilon.h5... -/tmp/meepcMDAt0/test_output_field_to_file-0: 1.71s +.Outputting /tmp/meepGo7UOK/test_output_field_to_file-0-epsilon.h5... +/tmp/meepGo7UOK/test_output_field_to_file-0: 1.98s -/tmp/meepcMDAt0/test_output_tot_pwr-0 +/tmp/meepGo7UOK/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -64258,7 +64229,7 @@ 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: 0.0011296272277832031 +elapsed time for initialization: 0.0011146068572998047 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... @@ -64369,7 +64340,7 @@ 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: 0.07901430130004883 +elapsed time for k point: 0.09380030632019043 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64620,7 +64591,7 @@ 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: 0.29453110694885254 +elapsed time for k point: 0.3044707775115967 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64677,7 +64648,7 @@ 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: 0.0824439525604248 +elapsed time for k point: 0.07276105880737305 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64730,7 +64701,7 @@ 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: 0.07537317276000977 +elapsed time for k point: 0.06327700614929199 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64791,7 +64762,7 @@ 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: 0.09096431732177734 +elapsed time for k point: 0.06975173950195312 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64884,7 +64855,7 @@ 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: 0.3413510322570801 +elapsed time for k point: 0.10878467559814453 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64955,7 +64926,7 @@ 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: 0.07698464393615723 +elapsed time for k point: 0.08167648315429688 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65016,7 +64987,7 @@ 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: 0.19818782806396484 +elapsed time for k point: 0.0699455738067627 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65069,7 +65040,7 @@ 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: 0.056426048278808594 +elapsed time for k point: 0.06029462814331055 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65121,7 +65092,7 @@ 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: 0.0541532039642334 +elapsed time for k point: 0.0576934814453125 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65173,7 +65144,7 @@ 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: 0.17428016662597656 +elapsed time for k point: 0.05756545066833496 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65214,7 +65185,7 @@ 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: 0.04334616661071777 +elapsed time for k point: 0.04570603370666504 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65261,7 +65232,7 @@ 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: 0.05008959770202637 +elapsed time for k point: 0.05298328399658203 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65324,7 +65295,7 @@ 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: 0.1954808235168457 +elapsed time for k point: 0.07234334945678711 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65397,7 +65368,7 @@ 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: 0.08014392852783203 +elapsed time for k point: 0.08540129661560059 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -65592,7 +65563,7 @@ 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: 0.21811509132385254 +elapsed time for k point: 0.1886913776397705 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> @@ -65604,16 +65575,16 @@ 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: 2.113137722015381 +total elapsed time for run: 1.4871280193328857 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 -Outputting /tmp/meepcMDAt0/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... +Outputting /tmp/meepGo7UOK/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/meepcMDAt0/test_output_tot_pwr-0: 2.12s +./tmp/meepGo7UOK/test_output_tot_pwr-0: 1.49s -/tmp/meepcMDAt0/test_point_defect_state-0 +/tmp/meepGo7UOK/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance @@ -65691,7 +65662,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.08566880226135254 +elapsed time for initialization: 0.020488977432250977 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... @@ -66527,11 +66498,11 @@ Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 79.8 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: 21.459144353866577 -total elapsed time for run: 21.544991970062256 +elapsed time for k point: 26.944687128067017 +total elapsed time for run: 26.965331554412842 done Fixing e-field (band 25) phase by -0.243926 + -0.969794i; max ampl. = 0.816569 -Outputting fields to /tmp/meepcMDAt0/test_point_defect_state-0-e.k01.b25.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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 @@ -66611,7 +66582,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0076351165771484375 +elapsed time for initialization: 0.010821104049682617 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -66985,8 +66956,8 @@ 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: 0.7887709140777588 -total elapsed time for run: 0.7964975833892822 +elapsed time for k point: 0.7992260456085205 +total elapsed time for run: 0.8101365566253662 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67066,7 +67037,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.007514476776123047 +elapsed time for initialization: 0.03297162055969238 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67440,8 +67411,8 @@ 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: 0.609825849533081 -total elapsed time for run: 0.6174378395080566 +elapsed time for k point: 1.9998018741607666 +total elapsed time for run: 2.032874584197998 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67521,7 +67492,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.049391746520996094 +elapsed time for initialization: 0.010049581527709961 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67966,8 +67937,8 @@ 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: 0.8810830116271973 -total elapsed time for run: 0.9305686950683594 +elapsed time for k point: 1.430882453918457 +total elapsed time for run: 1.4410111904144287 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68047,7 +68018,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0074329376220703125 +elapsed time for initialization: 0.010481595993041992 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68380,8 +68351,8 @@ 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: 0.6049048900604248 -total elapsed time for run: 0.6124210357666016 +elapsed time for k point: 0.5308811664581299 +total elapsed time for run: 0.5414400100708008 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68461,7 +68432,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.007514476776123047 +elapsed time for initialization: 0.009707212448120117 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68762,8 +68733,8 @@ 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: 0.4694974422454834 -total elapsed time for run: 0.47710251808166504 +elapsed time for k point: 0.924248456954956 +total elapsed time for run: 0.9340453147888184 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68843,7 +68814,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.007527589797973633 +elapsed time for initialization: 0.01086568832397461 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69178,8 +69149,8 @@ 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: 0.4507429599761963 -total elapsed time for run: 0.4583573341369629 +elapsed time for k point: 0.584721565246582 +total elapsed time for run: 0.5956997871398926 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69259,7 +69230,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.007471323013305664 +elapsed time for initialization: 0.009756803512573242 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69584,8 +69555,8 @@ 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: 0.6620569229125977 -total elapsed time for run: 0.6696152687072754 +elapsed time for k point: 1.0432767868041992 +total elapsed time for run: 1.0531139373779297 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69665,7 +69636,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0074236392974853516 +elapsed time for initialization: 0.07931923866271973 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69989,8 +69960,8 @@ 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: 0.7216830253601074 -total elapsed time for run: 0.7291948795318604 +elapsed time for k point: 1.073133945465088 +total elapsed time for run: 1.1525347232818604 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70070,7 +70041,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.007524013519287109 +elapsed time for initialization: 0.10347628593444824 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70394,8 +70365,8 @@ 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: 0.7292318344116211 -total elapsed time for run: 0.7368385791778564 +elapsed time for k point: 1.7059290409088135 +total elapsed time for run: 1.8094892501831055 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70475,7 +70446,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.00736236572265625 +elapsed time for initialization: 0.011990785598754883 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70793,8 +70764,8 @@ 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: 0.5923120975494385 -total elapsed time for run: 0.5997586250305176 +elapsed time for k point: 0.9410073757171631 +total elapsed time for run: 0.9530849456787109 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70874,7 +70845,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0074465274810791016 +elapsed time for initialization: 0.056752920150756836 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71198,8 +71169,8 @@ 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: 0.5132622718811035 -total elapsed time for run: 0.5207910537719727 +elapsed time for k point: 1.2337348461151123 +total elapsed time for run: 1.290595531463623 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71279,7 +71250,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.007546901702880859 +elapsed time for initialization: 0.010782480239868164 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71613,8 +71584,8 @@ 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: 0.5701155662536621 -total elapsed time for run: 0.5777509212493896 +elapsed time for k point: 1.078859806060791 +total elapsed time for run: 1.0897135734558105 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71694,7 +71665,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.007375955581665039 +elapsed time for initialization: 0.059888601303100586 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72018,8 +71989,8 @@ 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: 0.5474028587341309 -total elapsed time for run: 0.554872989654541 +elapsed time for k point: 0.6863384246826172 +total elapsed time for run: 0.7463111877441406 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72099,7 +72070,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.007926464080810547 +elapsed time for initialization: 0.06956839561462402 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72423,8 +72394,8 @@ 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: 0.5250964164733887 -total elapsed time for run: 0.5331075191497803 +elapsed time for k point: 0.6002299785614014 +total elapsed time for run: 0.6698794364929199 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72504,7 +72475,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0074498653411865234 +elapsed time for initialization: 0.009595155715942383 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72828,8 +72799,8 @@ 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: 0.45107603073120117 -total elapsed time for run: 0.458606481552124 +elapsed time for k point: 0.6108717918395996 +total elapsed time for run: 0.6205439567565918 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72909,7 +72880,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.007487058639526367 +elapsed time for initialization: 0.009894847869873047 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -73233,12 +73204,12 @@ 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: 0.46178436279296875 -total elapsed time for run: 0.4693582057952881 +.elapsed time for k point: 0.8018414974212646 +total elapsed time for run: 0.8118197917938232 done -/tmp/meepcMDAt0/test_point_defect_state-0: 31.30s +/tmp/meepGo7UOK/test_point_defect_state-0: 43.53s -/tmp/meepcMDAt0/test_poynting-0 +/tmp/meepGo7UOK/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -73281,7 +73252,7 @@ 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: 0.014234066009521484 +elapsed time for initialization: 0.001443624496459961 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... @@ -73392,7 +73363,7 @@ 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: 0.1351299285888672 +elapsed time for k point: 0.11425924301147461 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73643,7 +73614,7 @@ 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: 0.4035825729370117 +elapsed time for k point: 0.9165561199188232 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73700,7 +73671,7 @@ 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: 0.08693385124206543 +elapsed time for k point: 0.09470653533935547 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73753,7 +73724,7 @@ 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: 0.07942748069763184 +elapsed time for k point: 0.25347208976745605 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73814,7 +73785,7 @@ 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: 0.10883283615112305 +elapsed time for k point: 0.18011236190795898 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73907,7 +73878,7 @@ 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: 0.13621950149536133 +elapsed time for k point: 0.13980817794799805 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73978,7 +73949,7 @@ 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: 0.1199195384979248 +elapsed time for k point: 0.1999070644378662 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74039,7 +74010,7 @@ 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: 0.10888433456420898 +elapsed time for k point: 0.09361624717712402 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74092,7 +74063,7 @@ 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: 0.0717463493347168 +elapsed time for k point: 0.0798490047454834 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74144,7 +74115,7 @@ 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: 0.0856328010559082 +elapsed time for k point: 0.07401609420776367 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74198,15 +74169,15 @@ 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: 0.09060430526733398 -Outputting fields to /tmp/meepcMDAt0/test_poynting-0-flux.v.k11.b01.te.h5... -Outputting fields to /tmp/meepcMDAt0/test_poynting-0-flux.v.k11.b02.te.h5... -Outputting fields to /tmp/meepcMDAt0/test_poynting-0-flux.v.k11.b03.te.h5... -Outputting fields to /tmp/meepcMDAt0/test_poynting-0-flux.v.k11.b04.te.h5... -Outputting fields to /tmp/meepcMDAt0/test_poynting-0-flux.v.k11.b05.te.h5... -Outputting fields to /tmp/meepcMDAt0/test_poynting-0-flux.v.k11.b06.te.h5... -Outputting fields to /tmp/meepcMDAt0/test_poynting-0-flux.v.k11.b07.te.h5... -Outputting fields to /tmp/meepcMDAt0/test_poynting-0-flux.v.k11.b08.te.h5... +elapsed time for k point: 0.14211058616638184 +Outputting fields to /tmp/meepGo7UOK/test_poynting-0-flux.v.k11.b01.te.h5... +Outputting fields to /tmp/meepGo7UOK/test_poynting-0-flux.v.k11.b02.te.h5... +Outputting fields to /tmp/meepGo7UOK/test_poynting-0-flux.v.k11.b03.te.h5... +Outputting fields to /tmp/meepGo7UOK/test_poynting-0-flux.v.k11.b04.te.h5... +Outputting fields to /tmp/meepGo7UOK/test_poynting-0-flux.v.k11.b05.te.h5... +Outputting fields to /tmp/meepGo7UOK/test_poynting-0-flux.v.k11.b06.te.h5... +Outputting fields to /tmp/meepGo7UOK/test_poynting-0-flux.v.k11.b07.te.h5... +Outputting fields to /tmp/meepGo7UOK/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. @@ -74247,7 +74218,7 @@ 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: 0.06705856323242188 +elapsed time for k point: 0.06400418281555176 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74294,7 +74265,7 @@ 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: 0.0654442310333252 +elapsed time for k point: 0.1474926471710205 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74357,7 +74328,7 @@ 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: 0.07849597930908203 +elapsed time for k point: 0.22465300559997559 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74430,7 +74401,7 @@ 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: 0.10605168342590332 +elapsed time for k point: 0.11622357368469238 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -74625,7 +74596,7 @@ 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: 0.239732027053833 +..elapsed time for k point: 0.3154313564300537 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> @@ -74637,15 +74608,15 @@ 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: 2.079014539718628 +total elapsed time for run: 3.450965166091919 done -/tmp/meepcMDAt0/test_poynting-0: 2.08s +/tmp/meepGo7UOK/test_poynting-0: 3.46s -/tmp/meepcMDAt0/test_resolution-0 +/tmp/meepGo7UOK/test_resolution-0 ======================== -/tmp/meepcMDAt0/test_resolution-0: 0.00s +/tmp/meepGo7UOK/test_resolution-0: 0.00s -/tmp/meepcMDAt0/test_run_te-0 +/tmp/meepGo7UOK/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -74688,7 +74659,7 @@ 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: 0.0011262893676757812 +elapsed time for initialization: 0.001428842544555664 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... @@ -74799,7 +74770,7 @@ 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: 0.11724257469177246 +elapsed time for k point: 0.26946568489074707 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75050,7 +75021,7 @@ 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: 0.3878610134124756 +elapsed time for k point: 0.8086237907409668 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75107,7 +75078,7 @@ 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: 0.07706451416015625 +elapsed time for k point: 0.21153903007507324 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75160,7 +75131,7 @@ 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: 0.0864715576171875 +elapsed time for k point: 0.10800623893737793 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75221,7 +75192,7 @@ 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: 0.09512734413146973 +elapsed time for k point: 0.09805917739868164 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75314,7 +75285,7 @@ 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: 0.146559476852417 +elapsed time for k point: 0.35693359375 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75385,7 +75356,7 @@ 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: 0.08067059516906738 +elapsed time for k point: 0.2641878128051758 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75446,7 +75417,7 @@ 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: 0.06716299057006836 +elapsed time for k point: 0.1105039119720459 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75499,7 +75470,7 @@ 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: 0.05778193473815918 +elapsed time for k point: 0.26442384719848633 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75551,7 +75522,7 @@ 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: 0.05550718307495117 +elapsed time for k point: 0.09713292121887207 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75603,7 +75574,7 @@ 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: 0.05791807174682617 +elapsed time for k point: 0.12430524826049805 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75644,7 +75615,7 @@ 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: 0.04920029640197754 +elapsed time for k point: 0.08263921737670898 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75691,7 +75662,7 @@ 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: 0.052999019622802734 +elapsed time for k point: 0.07924485206604004 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75754,7 +75725,7 @@ 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: 0.06919717788696289 +elapsed time for k point: 0.09193181991577148 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75827,7 +75798,7 @@ 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: 0.08085823059082031 +elapsed time for k point: 0.17897963523864746 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -76022,7 +75993,7 @@ 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: 0.14455819129943848 +.elapsed time for k point: 0.37479114532470703 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> @@ -76034,11 +76005,11 @@ 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: 1.6284980773925781 +total elapsed time for run: 3.523470163345337 done -/tmp/meepcMDAt0/test_run_te-0: 1.63s +/tmp/meepGo7UOK/test_run_te-0: 3.52s -/tmp/meepcMDAt0/test_run_te_no_geometry-0 +/tmp/meepGo7UOK/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance @@ -76079,7 +76050,7 @@ 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: 0.0005645751953125 +elapsed time for initialization: 0.0008132457733154297 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... @@ -76102,7 +76073,7 @@ 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: 0.013558626174926758 +elapsed time for k point: 0.1957106590270996 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace @@ -76112,35 +76083,35 @@ 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: 0.006468057632446289 +elapsed time for k point: 0.14279413223266602 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: 0.004010200500488281 +elapsed time for k point: 0.020071744918823242 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: 0.00400996208190918 +elapsed time for k point: 0.02681136131286621 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: 0.004022359848022461 +elapsed time for k point: 0.007931947708129883 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: 0.004006147384643555 +elapsed time for k point: 0.01484990119934082 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace @@ -76150,7 +76121,7 @@ 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: 0.0063440799713134766 +elapsed time for k point: 0.017341136932373047 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace @@ -76160,7 +76131,7 @@ 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: 0.0063745975494384766 +elapsed time for k point: 0.015121221542358398 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -76181,21 +76152,21 @@ 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: 0.020279407501220703 +elapsed time for k point: 0.06249427795410156 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: 0.004018545150756836 +elapsed time for k point: 0.0067713260650634766 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: 0.004008293151855469 +elapsed time for k point: 0.006677865982055664 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace @@ -76357,35 +76328,35 @@ 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: 0.18055081367492676 +elapsed time for k point: 0.4054265022277832 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: 0.004022359848022461 +elapsed time for k point: 0.005409955978393555 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: 0.004014015197753906 +elapsed time for k point: 0.005887269973754883 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: 0.0039975643157958984 +elapsed time for k point: 0.0056231021881103516 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: 0.0026922225952148438 +.elapsed time for k point: 0.0038399696350097656 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> @@ -76394,11 +76365,11 @@ 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: 0.2734520435333252 +total elapsed time for run: 0.9445433616638184 done -/tmp/meepcMDAt0/test_run_te_no_geometry-0: 0.27s +/tmp/meepGo7UOK/test_run_te_no_geometry-0: 0.95s -/tmp/meepcMDAt0/test_run_te_with_mu_material-0 +/tmp/meepGo7UOK/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -76442,7 +76413,7 @@ 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: 0.0018863677978515625 +elapsed time for initialization: 0.0025742053985595703 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... @@ -76860,7 +76831,7 @@ 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: 0.5725109577178955 +elapsed time for k point: 1.5011043548583984 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -77229,7 +77200,7 @@ 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: 0.7349607944488525 +elapsed time for k point: 1.6097989082336426 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -77475,7 +77446,7 @@ 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: 0.47013401985168457 +elapsed time for k point: 1.7171835899353027 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -77702,7 +77673,7 @@ 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: 0.45959997177124023 +elapsed time for k point: 1.331190586090088 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -78289,7 +78260,7 @@ 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: 1.4779443740844727 +elapsed time for k point: 3.8910787105560303 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78450,7 +78421,7 @@ 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: 0.49692487716674805 +elapsed time for k point: 0.9883694648742676 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78634,7 +78605,7 @@ 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: 0.45090246200561523 +elapsed time for k point: 1.0095951557159424 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78846,7 +78817,7 @@ 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: 0.5981941223144531 +elapsed time for k point: 1.1769976615905762 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -79100,7 +79071,7 @@ 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: 0.6191737651824951 +elapsed time for k point: 1.906583547592163 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -79790,7 +79761,7 @@ 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: 1.4614675045013428 +elapsed time for k point: 4.590047359466553 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -79935,7 +79906,7 @@ 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: 0.2997753620147705 +elapsed time for k point: 0.8683652877807617 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80138,7 +80109,7 @@ 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: 0.4204404354095459 +elapsed time for k point: 1.3617897033691406 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80405,7 +80376,7 @@ 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: 0.5523467063903809 +elapsed time for k point: 1.3997416496276855 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80648,7 +80619,7 @@ 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: 0.47010350227355957 +elapsed time for k point: 1.2652556896209717 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80964,7 +80935,7 @@ 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: 0.5623502731323242 +elapsed time for k point: 1.4244542121887207 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. @@ -81236,7 +81207,7 @@ 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: 0.322420597076416 +elapsed time for k point: 0.8234498500823975 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> @@ -81247,14 +81218,14 @@ 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: 9.972630977630615 +total elapsed time for run: 26.868940591812134 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" -Outputting /tmp/meepcMDAt0/test_run_te_with_mu_material-0-mu.h5... +Outputting /tmp/meepGo7UOK/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/meepcMDAt0/test_run_te_with_mu_material-0: 9.98s +./tmp/meepGo7UOK/test_run_te_with_mu_material-0: 26.88s -/tmp/meepcMDAt0/test_run_tm-0 +/tmp/meepGo7UOK/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -81297,7 +81268,7 @@ 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: 0.00110626220703125 +elapsed time for initialization: 0.0016934871673583984 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... @@ -81433,7 +81404,7 @@ 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: 0.09258008003234863 +elapsed time for k point: 0.2738304138183594 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81484,7 +81455,7 @@ 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: 0.053939104080200195 +elapsed time for k point: 0.13383793830871582 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -81515,7 +81486,7 @@ 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: 0.031174182891845703 +elapsed time for k point: 0.05121755599975586 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81546,7 +81517,7 @@ 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: 0.031185388565063477 +elapsed time for k point: 0.1426525115966797 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81577,7 +81548,7 @@ 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: 0.031204700469970703 +elapsed time for k point: 0.08701300621032715 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81608,7 +81579,7 @@ 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: 0.031174421310424805 +elapsed time for k point: 0.07073712348937988 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81637,7 +81608,7 @@ 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: 0.028948545455932617 +elapsed time for k point: 0.06228899955749512 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81664,7 +81635,7 @@ 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: 0.02659153938293457 +elapsed time for k point: 0.06824493408203125 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81693,7 +81664,7 @@ 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: 0.028954267501831055 +elapsed time for k point: 0.17581725120544434 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81726,7 +81697,7 @@ 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: 0.03358292579650879 +elapsed time for k point: 0.09120726585388184 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81761,7 +81732,7 @@ 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: 0.03581976890563965 +elapsed time for k point: 0.08782839775085449 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81798,7 +81769,7 @@ 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: 0.03797721862792969 +elapsed time for k point: 0.12605929374694824 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81827,7 +81798,7 @@ 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: 0.02895951271057129 +elapsed time for k point: 0.06081676483154297 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81856,7 +81827,7 @@ 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: 0.028888940811157227 +elapsed time for k point: 0.10201168060302734 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81889,7 +81860,7 @@ 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: 0.033405303955078125 +elapsed time for k point: 0.08797216415405273 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -82021,7 +81992,7 @@ 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: 0.08951759338378906 +.elapsed time for k point: 0.18459296226501465 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> @@ -82032,11 +82003,11 @@ 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: 0.6459715366363525 +total elapsed time for run: 1.8089745044708252 done -/tmp/meepcMDAt0/test_run_tm-0: 0.65s +/tmp/meepGo7UOK/test_run_tm-0: 1.81s -/tmp/meepcMDAt0/test_set_eigenvectors-0 +/tmp/meepGo7UOK/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -82079,7 +82050,7 @@ 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: 0.0010983943939208984 +elapsed time for initialization: 0.0015299320220947266 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... @@ -82190,7 +82161,7 @@ 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: 0.07890653610229492 +elapsed time for k point: 0.18317031860351562 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82441,7 +82412,7 @@ 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: 0.27815985679626465 +elapsed time for k point: 0.6742031574249268 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82498,7 +82469,7 @@ 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: 0.06091618537902832 +elapsed time for k point: 0.09738516807556152 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82551,7 +82522,7 @@ 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: 0.05675697326660156 +elapsed time for k point: 0.16455912590026855 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82612,7 +82583,7 @@ 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: 0.0655207633972168 +elapsed time for k point: 0.13331317901611328 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82705,7 +82676,7 @@ 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: 0.10526299476623535 +elapsed time for k point: 0.22057294845581055 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82776,7 +82747,7 @@ 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: 0.0779867172241211 +elapsed time for k point: 0.22644591331481934 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82837,7 +82808,7 @@ 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: 0.06739640235900879 +elapsed time for k point: 0.20879316329956055 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82890,7 +82861,7 @@ 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: 0.057723045349121094 +elapsed time for k point: 0.10290288925170898 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82942,7 +82913,7 @@ 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: 0.05542588233947754 +elapsed time for k point: 0.19144654273986816 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82994,7 +82965,7 @@ 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: 0.05523347854614258 +elapsed time for k point: 0.09022784233093262 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83035,7 +83006,7 @@ 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: 0.04373526573181152 +elapsed time for k point: 0.11220073699951172 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83082,7 +83053,7 @@ 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: 0.05070996284484863 +elapsed time for k point: 0.11242246627807617 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83145,7 +83116,7 @@ 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: 0.06932592391967773 +elapsed time for k point: 0.12996935844421387 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83218,7 +83189,7 @@ 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: 0.08107852935791016 +elapsed time for k point: 0.1537618637084961 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -83413,7 +83384,7 @@ 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: 0.14472222328186035 +elapsed time for k point: 0.44310665130615234 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> @@ -83425,7 +83396,7 @@ 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: 1.3510103225708008 +total elapsed time for run: 3.247243642807007 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -83467,7 +83438,7 @@ 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: 0.0011506080627441406 +elapsed time for initialization: 0.06194949150085449 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... @@ -83578,7 +83549,7 @@ 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: 0.08367061614990234 +elapsed time for k point: 0.17669343948364258 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -83829,7 +83800,7 @@ 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: 0.2950153350830078 +elapsed time for k point: 0.5563609600067139 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83886,7 +83857,7 @@ 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: 0.06615686416625977 +elapsed time for k point: 0.12179374694824219 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83939,7 +83910,7 @@ 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: 0.059064388275146484 +elapsed time for k point: 0.12546253204345703 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84000,7 +83971,7 @@ 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: 0.06807899475097656 +elapsed time for k point: 0.10179781913757324 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84093,7 +84064,7 @@ 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: 0.10788440704345703 +elapsed time for k point: 0.285351037979126 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -84164,7 +84135,7 @@ 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: 0.07957577705383301 +elapsed time for k point: 0.1612260341644287 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84225,7 +84196,7 @@ 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: 0.06791019439697266 +elapsed time for k point: 0.18265891075134277 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84278,7 +84249,7 @@ 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: 0.06270766258239746 +elapsed time for k point: 0.23903560638427734 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84330,7 +84301,7 @@ 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: 0.06794977188110352 +elapsed time for k point: 0.10068321228027344 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84382,7 +84353,7 @@ 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: 0.056981563568115234 +elapsed time for k point: 0.10082316398620605 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84423,7 +84394,7 @@ 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: 0.04480385780334473 +elapsed time for k point: 0.08159351348876953 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84470,7 +84441,7 @@ 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: 0.05269980430603027 +elapsed time for k point: 0.10548830032348633 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84533,7 +84504,7 @@ 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: 0.07001614570617676 +elapsed time for k point: 0.12093257904052734 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84606,7 +84577,7 @@ 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: 0.08260846138000488 +elapsed time for k point: 0.15951180458068848 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -84801,7 +84772,7 @@ 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: 0.14719343185424805 +elapsed time for k point: 0.42455625534057617 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> @@ -84813,7 +84784,7 @@ 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: 1.4147467613220215 +total elapsed time for run: 3.1072733402252197 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -84855,7 +84826,7 @@ 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: 0.001222848892211914 +elapsed time for initialization: 0.0019123554229736328 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... @@ -84966,7 +84937,7 @@ 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: 0.08341217041015625 +elapsed time for k point: 0.628321647644043 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85217,7 +85188,7 @@ 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: 0.28789591789245605 +elapsed time for k point: 0.8250024318695068 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85274,7 +85245,7 @@ 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: 0.06339836120605469 +elapsed time for k point: 0.20881152153015137 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85327,7 +85298,7 @@ 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: 0.05827450752258301 +elapsed time for k point: 0.17521977424621582 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85388,7 +85359,7 @@ 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: 0.06851601600646973 +elapsed time for k point: 0.19237637519836426 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85481,7 +85452,7 @@ 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: 0.10505056381225586 +elapsed time for k point: 0.17434072494506836 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85552,7 +85523,7 @@ 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: 0.07974529266357422 +elapsed time for k point: 0.34847187995910645 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85613,7 +85584,7 @@ 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: 0.06762480735778809 +elapsed time for k point: 0.19757986068725586 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85666,7 +85637,7 @@ 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: 0.058435678482055664 +elapsed time for k point: 0.1043550968170166 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85718,7 +85689,7 @@ 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: 0.05576300621032715 +elapsed time for k point: 0.13979625701904297 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85770,7 +85741,7 @@ 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: 0.055687665939331055 +elapsed time for k point: 0.1123189926147461 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85811,7 +85782,7 @@ 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: 0.04572486877441406 +elapsed time for k point: 0.0917062759399414 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85858,7 +85829,7 @@ 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: 0.0510556697845459 +elapsed time for k point: 0.08609414100646973 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85921,7 +85892,7 @@ 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: 0.06986498832702637 +elapsed time for k point: 0.40209293365478516 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85994,7 +85965,7 @@ 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: 0.08165979385375977 +elapsed time for k point: 0.1459217071533203 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -86189,7 +86160,7 @@ 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: 0.14522576332092285 +.elapsed time for k point: 0.3406839370727539 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> @@ -86201,11 +86172,11 @@ 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: 1.3797369003295898 +total elapsed time for run: 4.1762988567352295 done -/tmp/meepcMDAt0/test_set_eigenvectors-0: 4.15s +/tmp/meepGo7UOK/test_set_eigenvectors-0: 10.53s -/tmp/meepcMDAt0/test_sq_rods-0 +/tmp/meepGo7UOK/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -86248,7 +86219,7 @@ 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: 0.0011107921600341797 +elapsed time for initialization: 0.001409292221069336 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... @@ -86347,7 +86318,7 @@ 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: 0.07023429870605469 +elapsed time for k point: 0.24761009216308594 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86626,7 +86597,7 @@ 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: 0.30918192863464355 +elapsed time for k point: 0.9122247695922852 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86685,7 +86656,7 @@ 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: 0.06351375579833984 +elapsed time for k point: 0.23650884628295898 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86734,7 +86705,7 @@ 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: 0.05229377746582031 +elapsed time for k point: 0.1605982780456543 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86793,7 +86764,7 @@ 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: 0.06358122825622559 +elapsed time for k point: 0.17050957679748535 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86896,7 +86867,7 @@ 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: 0.11193180084228516 +elapsed time for k point: 0.2610597610473633 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86967,7 +86938,7 @@ 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: 0.07718992233276367 +elapsed time for k point: 0.14388251304626465 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87026,7 +86997,7 @@ 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: 0.06361174583435059 +elapsed time for k point: 0.15841197967529297 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87077,7 +87048,7 @@ 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: 0.05441999435424805 +elapsed time for k point: 0.1694798469543457 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87129,7 +87100,7 @@ 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: 0.05445694923400879 +elapsed time for k point: 0.2567727565765381 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87179,7 +87150,7 @@ 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: 0.05211329460144043 +elapsed time for k point: 0.1175222396850586 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87220,7 +87191,7 @@ 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: 0.04278063774108887 +elapsed time for k point: 0.08421182632446289 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87265,7 +87236,7 @@ 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: 0.047617435455322266 +elapsed time for k point: 0.09290719032287598 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87322,7 +87293,7 @@ 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: 0.061277151107788086 +elapsed time for k point: 0.13976311683654785 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87397,7 +87368,7 @@ 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: 0.08912467956542969 +elapsed time for k point: 0.2312331199645996 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -87575,7 +87546,7 @@ 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: 0.1304163932800293 +elapsed time for k point: 0.18269968032836914 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> @@ -87587,7 +87558,7 @@ 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: 1.3459534645080566 +total elapsed time for run: 3.5680794715881348 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -87629,7 +87600,7 @@ 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: 0.0011870861053466797 +elapsed time for initialization: 0.0014426708221435547 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... @@ -87706,7 +87677,7 @@ 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: 0.05575704574584961 +elapsed time for k point: 0.07816743850708008 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87765,7 +87736,7 @@ 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: 0.06546425819396973 +elapsed time for k point: 0.21733641624450684 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87796,7 +87767,7 @@ 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: 0.03233480453491211 +elapsed time for k point: 0.05434465408325195 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87827,7 +87798,7 @@ 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: 0.032192230224609375 +elapsed time for k point: 0.11332511901855469 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87858,7 +87829,7 @@ 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: 0.0322422981262207 +elapsed time for k point: 0.043991804122924805 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87891,7 +87862,7 @@ 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: 0.0345463752746582 +elapsed time for k point: 0.0512237548828125 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87918,7 +87889,7 @@ 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: 0.027618408203125 +elapsed time for k point: 0.13198065757751465 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87947,7 +87918,7 @@ 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: 0.029793977737426758 +elapsed time for k point: 0.05497384071350098 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87976,7 +87947,7 @@ 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: 0.030007123947143555 +elapsed time for k point: 0.045125722885131836 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88009,7 +87980,7 @@ 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: 0.03461575508117676 +elapsed time for k point: 0.05997610092163086 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88044,7 +88015,7 @@ 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: 0.037140607833862305 +elapsed time for k point: 0.22570466995239258 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88083,7 +88054,7 @@ 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: 0.04175925254821777 +elapsed time for k point: 0.2708110809326172 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88112,7 +88083,7 @@ 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: 0.029853343963623047 +elapsed time for k point: 0.18581247329711914 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88141,7 +88112,7 @@ 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: 0.0298464298248291 +elapsed time for k point: 0.040819644927978516 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88172,7 +88143,7 @@ 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: 0.03222346305847168 +elapsed time for k point: 0.053667545318603516 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -88305,7 +88276,7 @@ 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: 0.09671640396118164 +.elapsed time for k point: 0.26828455924987793 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> @@ -88316,11 +88287,11 @@ 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: 0.6442766189575195 +total elapsed time for run: 1.8981902599334717 done -/tmp/meepcMDAt0/test_sq_rods-0: 1.99s +/tmp/meepGo7UOK/test_sq_rods-0: 5.47s -/tmp/meepcMDAt0/test_strip-0 +/tmp/meepGo7UOK/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance @@ -88362,7 +88333,7 @@ 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: 0.0036334991455078125 +elapsed time for initialization: 0.009710550308227539 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... @@ -88451,7 +88422,7 @@ 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: 0.16127824783325195 +elapsed time for k point: 0.7903852462768555 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): @@ -88518,7 +88489,7 @@ 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: 0.11836433410644531 +elapsed time for k point: 0.16363763809204102 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): @@ -88591,7 +88562,7 @@ 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: 0.13010573387145996 +elapsed time for k point: 0.25446391105651855 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): @@ -88654,7 +88625,7 @@ 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: 0.10921502113342285 +elapsed time for k point: 0.33179140090942383 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): @@ -88767,7 +88738,7 @@ 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: 0.2033548355102539 +elapsed time for k point: 0.7087359428405762 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): @@ -88832,7 +88803,7 @@ 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: 0.11263346672058105 +elapsed time for k point: 0.8608143329620361 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): @@ -88905,7 +88876,7 @@ 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: 0.12397050857543945 +elapsed time for k point: 0.7305178642272949 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): @@ -89139,7 +89110,7 @@ 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: 0.42279052734375 +elapsed time for k point: 1.8331267833709717 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): @@ -89190,7 +89161,7 @@ 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: 0.08596539497375488 +elapsed time for k point: 0.11814641952514648 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): @@ -89229,7 +89200,7 @@ 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: 0.06325483322143555 +elapsed time for k point: 0.26039552688598633 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): @@ -89268,18 +89239,18 @@ 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: 0.0631401538848877 +Felapsed time for k point: 0.09056830406188965 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: 1.5992274284362793 +total elapsed time for run: 6.154288053512573 done -/tmp/meepcMDAt0/test_strip-0: 1.60s +/tmp/meepGo7UOK/test_strip-0: 6.16s -/tmp/meepcMDAt0/test_subpixel_averaging-0 +/tmp/meepGo7UOK/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -89322,7 +89293,7 @@ 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: 0.0011203289031982422 +elapsed time for initialization: 0.0014145374298095703 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... @@ -89433,7 +89404,7 @@ 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: 0.07758665084838867 +elapsed time for k point: 0.290665864944458 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89684,7 +89655,7 @@ 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: 0.2748124599456787 +elapsed time for k point: 0.6520955562591553 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89741,7 +89712,7 @@ 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: 0.0604395866394043 +elapsed time for k point: 0.2634744644165039 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89794,7 +89765,7 @@ 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: 0.05594658851623535 +elapsed time for k point: 0.07686901092529297 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89855,7 +89826,7 @@ 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: 0.06494450569152832 +elapsed time for k point: 0.2525160312652588 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89948,7 +89919,7 @@ 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: 0.10093092918395996 +elapsed time for k point: 0.3049020767211914 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -90019,7 +89990,7 @@ 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: 0.07648086547851562 +elapsed time for k point: 0.29328417778015137 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90080,7 +90051,7 @@ 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: 0.06508159637451172 +elapsed time for k point: 0.2617340087890625 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90133,7 +90104,7 @@ 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: 0.055951595306396484 +elapsed time for k point: 0.07764482498168945 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90185,7 +90156,7 @@ 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: 0.05399465560913086 +elapsed time for k point: 0.23804116249084473 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90237,7 +90208,7 @@ 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: 0.05371570587158203 +elapsed time for k point: 0.07664060592651367 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90278,7 +90249,7 @@ 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: 0.0425565242767334 +elapsed time for k point: 0.23147845268249512 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90325,7 +90296,7 @@ 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: 0.04890561103820801 +elapsed time for k point: 0.06693768501281738 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90388,7 +90359,7 @@ 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: 0.06699252128601074 +elapsed time for k point: 0.2599163055419922 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90461,7 +90432,7 @@ 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: 0.07853150367736816 +elapsed time for k point: 0.27570414543151855 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -90656,7 +90627,7 @@ 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: 0.1375441551208496 +elapsed time for k point: 0.3645458221435547 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> @@ -90668,13 +90639,13 @@ 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: 1.316540002822876 +total elapsed time for run: 3.989055871963501 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepcMDAt0/test_subpixel_averaging-0-epsilon.h5... -/tmp/meepcMDAt0/test_subpixel_averaging-0: 1.32s +.Outputting /tmp/meepGo7UOK/test_subpixel_averaging-0-epsilon.h5... +/tmp/meepGo7UOK/test_subpixel_averaging-0: 4.00s -/tmp/meepcMDAt0/test_symmetry_overlap-0 +/tmp/meepGo7UOK/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90702,7 +90673,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> -elapsed time for initialization: 0.04179811477661133 +elapsed time for initialization: 0.13124895095825195 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... @@ -90763,8 +90734,8 @@ 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: 1.70023775100708 -total elapsed time for run: 1.7421514987945557 +elapsed time for k point: 3.9846904277801514 +total elapsed time for run: 4.11604118347168 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90791,7 +90762,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.04096794128417969 +elapsed time for initialization: 0.07803940773010254 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... @@ -90974,8 +90945,8 @@ 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: 4.313864707946777 -total elapsed time for run: 4.354952335357666 +elapsed time for k point: 9.966305017471313 +total elapsed time for run: 10.04444146156311 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -91002,7 +90973,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.04056191444396973 +elapsed time for initialization: 0.05358242988586426 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... @@ -91071,12 +91042,12 @@ 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: 1.5577003955841064 -total elapsed time for run: 1.5983734130859375 +.elapsed time for k point: 1.8638451099395752 +total elapsed time for run: 1.9175469875335693 done -/tmp/meepcMDAt0/test_symmetry_overlap-0: 8.09s +/tmp/meepGo7UOK/test_symmetry_overlap-0: 16.71s -/tmp/meepcMDAt0/test_tri_holes-0 +/tmp/meepGo7UOK/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -91119,7 +91090,7 @@ 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: 0.0021233558654785156 +elapsed time for initialization: 0.0021588802337646484 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... @@ -91241,7 +91212,7 @@ 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: 0.08257770538330078 +elapsed time for k point: 0.5934703350067139 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91350,7 +91321,7 @@ 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: 0.11658167839050293 +elapsed time for k point: 0.2692427635192871 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91411,7 +91382,7 @@ 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: 0.06468582153320312 +elapsed time for k point: 0.12138938903808594 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91470,7 +91441,7 @@ 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: 0.06221342086791992 +elapsed time for k point: 0.0994577407836914 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91535,7 +91506,7 @@ 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: 0.06900143623352051 +elapsed time for k point: 0.15730571746826172 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91610,7 +91581,7 @@ 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: 0.08033514022827148 +elapsed time for k point: 0.1522080898284912 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91671,7 +91642,7 @@ 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: 0.06455087661743164 +elapsed time for k point: 0.11567020416259766 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91738,7 +91709,7 @@ 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: 0.07139778137207031 +elapsed time for k point: 0.2524850368499756 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91805,7 +91776,7 @@ 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: 0.07131814956665039 +elapsed time for k point: 0.12885427474975586 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91874,7 +91845,7 @@ 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: 0.07349181175231934 +elapsed time for k point: 0.19194674491882324 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91989,7 +91960,7 @@ 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: 0.1230318546295166 +elapsed time for k point: 0.3378458023071289 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92052,7 +92023,7 @@ 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: 0.06692337989807129 +elapsed time for k point: 0.12086009979248047 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92109,7 +92080,7 @@ 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: 0.060065507888793945 +elapsed time for k point: 0.10819578170776367 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92164,7 +92135,7 @@ 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: 0.0581052303314209 +elapsed time for k point: 0.10277867317199707 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92232,7 +92203,7 @@ 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: 0.07127213478088379 +elapsed time for k point: 0.11435914039611816 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -92461,7 +92432,7 @@ 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: 0.15950226783752441 +elapsed time for k point: 0.335407018661499 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> @@ -92473,7 +92444,7 @@ 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: 1.2981531620025635 +total elapsed time for run: 3.2049498558044434 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -92515,7 +92486,7 @@ 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: 0.0021560192108154297 +elapsed time for initialization: 0.0028159618377685547 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... @@ -92584,7 +92555,7 @@ 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: 0.04645371437072754 +elapsed time for k point: 0.08072137832641602 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92629,7 +92600,7 @@ 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: 0.046610116958618164 +elapsed time for k point: 0.06680703163146973 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -92666,7 +92637,7 @@ 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: 0.03743481636047363 +elapsed time for k point: 0.05555152893066406 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -92699,7 +92670,7 @@ 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: 0.032973527908325195 +elapsed time for k point: 0.04577755928039551 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92730,7 +92701,7 @@ 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: 0.030698537826538086 +elapsed time for k point: 0.04425358772277832 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92765,7 +92736,7 @@ 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: 0.03525090217590332 +elapsed time for k point: 0.08296442031860352 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92798,7 +92769,7 @@ 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: 0.03295111656188965 +elapsed time for k point: 0.07303285598754883 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92833,7 +92804,7 @@ 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: 0.035188913345336914 +elapsed time for k point: 0.06200218200683594 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92868,7 +92839,7 @@ 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: 0.03549838066101074 +elapsed time for k point: 0.0568695068359375 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92905,7 +92876,7 @@ 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: 0.03741192817687988 +elapsed time for k point: 0.058428049087524414 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92967,7 +92938,7 @@ 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: 0.0623173713684082 +elapsed time for k point: 0.13008880615234375 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93002,7 +92973,7 @@ 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: 0.035184383392333984 +elapsed time for k point: 0.06998276710510254 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -93033,7 +93004,7 @@ 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: 0.030728578567504883 +elapsed time for k point: 0.17068886756896973 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93064,7 +93035,7 @@ 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: 0.030823707580566406 +elapsed time for k point: 0.05079817771911621 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -93105,7 +93076,7 @@ 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: 0.04193878173828125 +elapsed time for k point: 0.06299161911010742 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -93173,7 +93144,7 @@ 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: 0.046293020248413086 +.elapsed time for k point: 0.0765998363494873 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> @@ -93188,11 +93159,11 @@ 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: 0.6206614971160889 +total elapsed time for run: 1.1915607452392578 done -/tmp/meepcMDAt0/test_tri_holes-0: 1.92s +/tmp/meepGo7UOK/test_tri_holes-0: 4.40s -/tmp/meepcMDAt0/test_tri_rods-0 +/tmp/meepGo7UOK/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -93234,7 +93205,7 @@ 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: 0.0012958049774169922 +elapsed time for initialization: 0.001932382583618164 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... @@ -93289,7 +93260,7 @@ 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: 0.036397457122802734 +elapsed time for k point: 0.0634768009185791 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93330,7 +93301,7 @@ 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: 0.0420222282409668 +elapsed time for k point: 0.09444522857666016 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93365,7 +93336,7 @@ 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: 0.03524589538574219 +elapsed time for k point: 0.05455970764160156 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93398,7 +93369,7 @@ 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: 0.03308701515197754 +elapsed time for k point: 0.05455899238586426 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93429,7 +93400,7 @@ 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: 0.030777931213378906 +elapsed time for k point: 0.09054327011108398 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93460,7 +93431,7 @@ 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: 0.030671119689941406 +elapsed time for k point: 0.059465646743774414 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93489,7 +93460,7 @@ 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: 0.028485774993896484 +elapsed time for k point: 0.051018714904785156 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93518,7 +93489,7 @@ 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: 0.0284576416015625 +elapsed time for k point: 0.07177448272705078 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93543,7 +93514,7 @@ 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: 0.024028778076171875 +elapsed time for k point: 0.044890642166137695 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93568,7 +93539,7 @@ 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: 0.02396416664123535 +elapsed time for k point: 0.04339122772216797 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93591,23 +93562,23 @@ 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: 0.021750450134277344 +elapsed time for k point: 0.033934831619262695 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 -Outputting fields to /tmp/meepcMDAt0/test_tri_rods-0-e.k11.b01.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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/meepcMDAt0/test_tri_rods-0-e.k11.b02.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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/meepcMDAt0/test_tri_rods-0-e.k11.b03.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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/meepcMDAt0/test_tri_rods-0-e.k11.b04.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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/meepcMDAt0/test_tri_rods-0-e.k11.b05.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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/meepcMDAt0/test_tri_rods-0-e.k11.b06.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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/meepcMDAt0/test_tri_rods-0-e.k11.b07.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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/meepcMDAt0/test_tri_rods-0-e.k11.b08.z.tm.h5... +Outputting fields to /tmp/meepGo7UOK/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. @@ -93634,7 +93605,7 @@ 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: 0.0263063907623291 +elapsed time for k point: 0.040813446044921875 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93663,7 +93634,7 @@ 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: 0.028560876846313477 +elapsed time for k point: 0.04539656639099121 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93694,7 +93665,7 @@ 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: 0.03067183494567871 +elapsed time for k point: 0.06290435791015625 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93733,7 +93704,7 @@ 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: 0.03978443145751953 +elapsed time for k point: 0.09210848808288574 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -93770,7 +93741,7 @@ 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: 0.024502277374267578 +elapsed time for k point: 0.04501533508300781 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> @@ -93784,7 +93755,7 @@ 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: 0.4948110580444336 +total elapsed time for run: 0.9767031669616699 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -93834,7 +93805,7 @@ 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: 0.0012674331665039062 +elapsed time for initialization: 0.0018987655639648438 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... @@ -93953,7 +93924,7 @@ 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: 0.08318734169006348 +elapsed time for k point: 0.1627810001373291 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94020,7 +93991,7 @@ 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: 0.07137012481689453 +elapsed time for k point: 0.1385812759399414 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94083,7 +94054,7 @@ 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: 0.0664069652557373 +elapsed time for k point: 0.17047548294067383 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94138,7 +94109,7 @@ 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: 0.057654380798339844 +elapsed time for k point: 0.09733963012695312 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94189,7 +94160,7 @@ 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: 0.053323984146118164 +elapsed time for k point: 0.07878589630126953 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94238,7 +94209,7 @@ 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: 0.0510711669921875 +elapsed time for k point: 0.16166400909423828 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94291,7 +94262,7 @@ 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: 0.05550074577331543 +elapsed time for k point: 0.08250236511230469 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94344,7 +94315,7 @@ 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: 0.05528688430786133 +elapsed time for k point: 0.1512281894683838 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94395,7 +94366,7 @@ 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: 0.05307626724243164 +elapsed time for k point: 0.12236642837524414 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94444,7 +94415,7 @@ 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: 0.05152702331542969 +elapsed time for k point: 0.09718728065490723 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94487,7 +94458,7 @@ 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: 0.04420113563537598 +elapsed time for k point: 0.08150506019592285 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94534,7 +94505,7 @@ 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: 0.04873251914978027 +elapsed time for k point: 0.13715696334838867 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94583,7 +94554,7 @@ 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: 0.050889015197753906 +elapsed time for k point: 0.08952760696411133 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94642,7 +94613,7 @@ 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: 0.062325477600097656 +elapsed time for k point: 0.10203409194946289 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94713,7 +94684,7 @@ 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: 0.0789790153503418 +elapsed time for k point: 0.11997652053833008 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. @@ -94788,7 +94759,7 @@ 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: 0.05364179611206055 +elapsed time for k point: 0.13426923751831055 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> @@ -94799,7 +94770,7 @@ 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: 0.9393377304077148 +total elapsed time for run: 1.9305460453033447 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors @@ -94809,9 +94780,9 @@ Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 -./tmp/meepcMDAt0/test_tri_rods-0: 1.44s +./tmp/meepGo7UOK/test_tri_rods-0: 2.92s -/tmp/meepcMDAt0/test_triangular_lattice-0 +/tmp/meepGo7UOK/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -94854,7 +94825,7 @@ 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: 0.001222848892211914 +elapsed time for initialization: 0.001592397689819336 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... @@ -94909,7 +94880,7 @@ 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: 0.03711223602294922 +elapsed time for k point: 0.05997490882873535 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94950,7 +94921,7 @@ 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: 0.04296994209289551 +elapsed time for k point: 0.12513494491577148 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94985,7 +94956,7 @@ 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: 0.0360112190246582 +elapsed time for k point: 0.04830145835876465 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95018,7 +94989,7 @@ 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: 0.0337824821472168 +elapsed time for k point: 0.04564023017883301 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95049,7 +95020,7 @@ 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: 0.031380653381347656 +elapsed time for k point: 0.04776120185852051 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95080,7 +95051,7 @@ 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: 0.03141045570373535 +elapsed time for k point: 0.050373077392578125 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95109,7 +95080,7 @@ 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: 0.029064178466796875 +elapsed time for k point: 0.055136680603027344 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95138,7 +95109,7 @@ 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: 0.029078006744384766 +elapsed time for k point: 0.0599210262298584 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95163,7 +95134,7 @@ 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: 0.024540424346923828 +elapsed time for k point: 0.05806708335876465 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95188,7 +95159,7 @@ 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: 0.024461746215820312 +elapsed time for k point: 0.04746294021606445 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95211,7 +95182,7 @@ 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: 0.022195100784301758 +elapsed time for k point: 0.04659628868103027 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95238,7 +95209,7 @@ 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: 0.02684617042541504 +elapsed time for k point: 0.06680107116699219 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95267,7 +95238,7 @@ 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: 0.029038429260253906 +elapsed time for k point: 0.07068395614624023 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95298,7 +95269,7 @@ 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: 0.03136563301086426 +elapsed time for k point: 0.06546998023986816 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95337,7 +95308,7 @@ 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: 0.0406033992767334 +elapsed time for k point: 0.0644981861114502 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -95427,10 +95398,10 @@ AssertionError: -0.9945407488966614 != -0.9950905165812846 within 3 places (0.0005497676846231148 difference) ---------------------------------------------------------------------- -Ran 47 tests in 163.009s +Ran 47 tests in 240.020s FAILED (failures=4) -elapsed time for k point: 0.024968624114990234 +elapsed time for k point: 0.09546923637390137 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> @@ -95444,15 +95415,15 @@ 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: 0.49665260314941406 +total elapsed time for run: 1.010411262512207 done -/tmp/meepcMDAt0/test_triangular_lattice-0: 0.50s +/tmp/meepGo7UOK/test_triangular_lattice-0: 1.01s -/tmp/meepcMDAt0/test_update_band_range_data-0 +/tmp/meepGo7UOK/test_update_band_range_data-0 ======================== -/tmp/meepcMDAt0/test_update_band_range_data-0: 0.00s +/tmp/meepGo7UOK/test_update_band_range_data-0: 0.00s -Elapsed run time = 163.0277 s +Elapsed run time = 240.0434 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_mode_decomposition @@ -95517,7 +95488,7 @@ 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; }; }) @@ -95547,7 +95518,7 @@ 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' @@ -95559,9 +95530,9 @@ 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; }; }) @@ -95581,9 +95552,9 @@ 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; }; }) @@ -95610,9 +95581,9 @@ 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; }; }) @@ -95678,10 +95649,10 @@ 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/_meep.so.33.0.0 contains an unresolvable reference to symbol PyObject_GetAttrString: 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_Call: it's probably a plugin +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyType_IsSubtype: 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 PyObject_Size: it's probably a plugin +dpkg-shlibdeps: warning: 107 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 @@ -95694,13 +95665,13 @@ dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb -dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-1_amd64.deb'. dpkg-deb: building package 'meep' in '../meep_1.29.0-1_amd64.deb'. -dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-1_amd64.deb'. +dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-1_amd64.deb'. dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-1_amd64.deb'. +dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-1_amd64.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-1_amd64.deb'. -dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-1_amd64.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-1_amd64.deb'. +dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-1_amd64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.29.0-1_amd64.buildinfo dpkg-genchanges --build=binary -O../meep_1.29.0-1_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -95708,12 +95679,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/66114/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/66114/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/2663041 and its subdirectories -I: Current time: Sun Mar 2 12:52:27 -12 2025 -I: pbuilder-time-stamp: 1740963147 +I: removing directory /srv/workspace/pbuilder/66114 and its subdirectories +I: Current time: Sun Apr 5 21:44:44 +14 2026 +I: pbuilder-time-stamp: 1775375084