Diff of the two buildlogs: -- --- b1/build.log 2025-03-10 01:57:47.532722074 +0000 +++ b2/build.log 2025-03-10 02:41:14.219461761 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun Mar 9 12:58:02 -12 2025 -I: pbuilder-time-stamp: 1741568282 +I: Current time: Sun Apr 12 22:20:51 +14 2026 +I: pbuilder-time-stamp: 1775982051 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -25,52 +25,84 @@ dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/718150/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/4058663/tmp/hooks/D01_modify_environment starting +debug: Running on codethink03-arm64. +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 12 08:20 /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/4058663/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/4058663/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='arm64' - 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]="aarch64-unknown-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=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='a69ec718fbde4ee6afcfd2c318747f81' - 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='718150' - PS1='# ' - PS2='> ' + INVOCATION_ID=e993239037c348cab5e93a1b960d4961 + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-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=4058663 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.fzksIYND/pbuilderrc_sTiX --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.fzksIYND/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' - http_proxy='http://192.168.101.4:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.fzksIYND/pbuilderrc_O15p --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.fzksIYND/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' + http_proxy=http://192.168.101.4:3128 I: uname -a - Linux codethink04-arm64 6.1.0-31-cloud-arm64 #1 SMP Debian 6.1.128-1 (2025-02-07) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-31-cloud-arm64 #1 SMP Debian 6.1.128-1 (2025-02-07) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/718150/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Nov 22 2024 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/4058663/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -433,7 +465,7 @@ Get: 279 http://deb.debian.org/debian trixie/main arm64 python3-matplotlib arm64 3.8.3-7+b1 [22.9 MB] Get: 280 http://deb.debian.org/debian trixie/main arm64 quilt all 0.68-1 [437 kB] Get: 281 http://deb.debian.org/debian trixie/main arm64 swig arm64 4.3.0-1 [1406 kB] -Fetched 222 MB in 2s (112 MB/s) +Fetched 222 MB in 1s (221 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal:arm64. (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 ... 19914 files and directories currently installed.) @@ -1341,8 +1373,8 @@ Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' -Local time is now: Mon Mar 10 00:59:29 UTC 2025. -Universal Time is now: Mon Mar 10 00:59:29 UTC 2025. +Local time is now: Sun Apr 12 08:21:33 UTC 2026. +Universal Time is now: Sun Apr 12 08:21:33 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... @@ -1597,7 +1629,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.29.0-1_source.changes +I: user script /srv/workspace/pbuilder/4058663/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/4058663/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 @@ -1873,10 +1909,10 @@ Making all in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make sphere_quad +(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' aarch64-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 -mbranch-protection=standard -Wall -W -c -o sphere-quad.o sphere-quad.cpp -(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 -/bin/bash ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm 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 @@ -1884,41 +1920,52 @@ 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 aarch64-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 -mbranch-protection=standard -c -o mt19937ar.lo mt19937ar.c +/bin/sh ../../libtool --tag=CC --mode=compile aarch64-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 -mbranch-protection=standard -c -o mt19937ar.lo mt19937ar.c libtool: compile: aarch64-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 -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o libtool: compile: aarch64-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 -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1 -/bin/bash ../../libtool --tag=CC --mode=link aarch64-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 -mbranch-protection=standard -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../../libtool --tag=CC --mode=link aarch64-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 -mbranch-protection=standard -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-ar cr .libs/libsupport.a .libs/mt19937ar.o libtool: link: aarch64-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 aarch64-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 -mbranch-protection=standard -Wall -W -c -o array_slice.lo array_slice.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-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 -mbranch-protection=standard -Wall -W -c -o anisotropic_averaging.lo anisotropic_averaging.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-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 -mbranch-protection=standard -Wall -W -c -o bands.lo bands.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-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 -mbranch-protection=standard -Wall -W -c -o boundaries.lo boundaries.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-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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fields_dump.cpp -fPIC -DPIC -o .libs/fields_dump.o libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c fields.cpp -fPIC -DPIC -o .libs/fields.o dft.cpp:274: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 274 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) { +boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const': +boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=] + 120 | switch (d) { + | ^~~~~~ +boundaries.cpp:128:5: note: here + 128 | case D3: + | ^~~~ +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial 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-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 -mbranch-protection=standard -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o .libs/multilevel-atom.o -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-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 -mbranch-protection=standard -Wall -W -c -o output_directory.lo output_directory.cpp libtool: compile: aarch64-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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vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 692 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ +libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1 +monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': +monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] + 327 | component cc = comp_list[com_it]; + | ^~ +monitor.cpp:274:15: note: 'comp_list' declared here + 274 | component comp_list[3]; + | ^~~~~~~~~ +libtool: compile: aarch64-linux-gnu-g++ 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+libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o +libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o 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] @@ -2078,30 +2125,7 @@ sources.cpp:168:1: warning: when initialized here [-Wreorder] 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, | ^~~~~~~ -libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o -libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c 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'E' : 'H', i, c, d); @@ -2134,7 +2167,8 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ -libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 +libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o +libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o sources.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); @@ -2152,16 +2186,16 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-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 -mbranch-protection=standard -Wall -W -c -o vec.lo vec.cpp -libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. 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-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 -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 90 | PLOOP_OVER_IVECS(gv, is, ie, i) { @@ -2279,15 +2313,11 @@ 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: aarch64-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 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.libs/step_generic_stride1.o -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: aarch64-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 -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 +libtool: compile: aarch64-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=. 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'dt2' [-Wunused-variable] 434 | realnum dt2 = dt * 0.5; @@ -2307,10 +2337,69 @@ 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: aarch64-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 -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-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 -mbranch-protection=standard -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) { + | ^~~~~~~~~~~~ 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++) { + | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +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: aarch64-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 -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o 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] @@ -2392,10 +2481,6 @@ step_generic_stride1.cpp:369: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 369 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:369: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -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++) { - | ~~^~~~~~~~~ step_generic_stride1.cpp:376: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 376 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:376: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] @@ -2489,55 +2574,6 @@ 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: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++) { - | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -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: aarch64-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 -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable] 436 | realnum dt2 = dt * 0.5; @@ -2558,6 +2594,8 @@ 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 +libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 +libtool: compile: aarch64-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 -mbranch-protection=standard -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)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, @@ -2567,12 +2605,10 @@ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ -libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 -libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 -libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-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") @@ -2661,6 +2697,24 @@ geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] 2357 | vector3 axisp = vector3_scale(height, zhatp); | ^~~~~ +In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', + inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: +structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] + 581 | mat2 = mat1; + | ~~~~~^~~~~~ +structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': +structure.cpp:509:17: note: 'mat1' declared here + 509 | material_type mat1, mat2; + | ^~~~ +In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', + inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: +structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] + 595 | mat_front = mat1; + | ~~~~~~~~~~^~~~~~ +structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': +structure.cpp:509:17: note: 'mat1' declared here + 509 | material_type mat1, mat2; + | ^~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)': meep_wrap.cxx:36080:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36080 | arg1 = (meep::component const) scm_to_int(argv[0]); @@ -2682,31 +2736,13 @@ 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]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', - inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: -structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] - 581 | mat2 = mat1; - | ~~~~~^~~~~~ -structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': -structure.cpp:509:17: note: 'mat1' declared here - 509 | material_type mat1, mat2; - | ^~~~ -In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', - inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: -structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] - 595 | mat_front = mat1; - | ~~~~~~~~~~^~~~~~ -structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': -structure.cpp:509:17: note: 'mat1' declared here - 509 | material_type mat1, mat2; - | ^~~~ -/bin/bash ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm 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 aarch64-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 -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-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 -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: aarch64-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 -mbranch-protection=standard -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) \ @@ -2731,7 +2767,7 @@ 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: aarch64-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 -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-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") @@ -2757,10 +2793,10 @@ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-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 -mbranch-protection=standard -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 aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-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 -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-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 -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-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 -mbranch-protection=standard -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 aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-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 -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-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 -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-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 -mbranch-protection=standard -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() { @@ -2834,7 +2870,7 @@ 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 aarch64-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 -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-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") @@ -2842,7 +2878,7 @@ libtool: link: aarch64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-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 -mbranch-protection=standard -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 aarch64-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 -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-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") @@ -2897,94 +2933,94 @@ 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' aarch64-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 -mbranch-protection=standard -Wall -W -c -o aniso_disp.o aniso_disp.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong 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-Wall -W -c -o bench.o bench.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bench bench.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bench bench.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/bench bench.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-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 -mbranch-protection=standard -Wall -W -c -o bragg_transmission.o bragg_transmission.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bragg_transmission bragg_transmission.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bragg_transmission bragg_transmission.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/bragg_transmission bragg_transmission.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-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 -mbranch-protection=standard -Wall -W -c -o convergence_cyl_waveguide.o convergence_cyl_waveguide.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o convergence_cyl_waveguide convergence_cyl_waveguide.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o convergence_cyl_waveguide convergence_cyl_waveguide.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas 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-L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-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 -mbranch-protection=standard -Wall -W -c -o gdsII-3d.o gdsII-3d.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o gdsII-3d gdsII-3d.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o gdsII-3d gdsII-3d.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/gdsII-3d gdsII-3d.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-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 -mbranch-protection=standard -Wall -W -c -o bend-flux-ll.o bend-flux-ll.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bend-flux-ll bend-flux-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bend-flux-ll bend-flux-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/bend-flux-ll bend-flux-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-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 -mbranch-protection=standard -Wall -W -c -o array-metadata.o array-metadata.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-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 -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make check-TESTS @@ -3402,90 +3438,90 @@ ./tests/2D_convergence.cpp ./src ./src/libmeep.la -./src/step_generic.lo -./src/step_generic.o ./src/step_generic_stride1.lo ./src/step_generic_stride1.o -./src/structure.lo +./src/step_generic.lo +./src/step_generic.o ./src/meepgeom.lo -./src/structure.o ./src/meepgeom.o +./src/structure.lo +./src/structure.o ./src/vec.lo ./src/vec.o ./src/step_db.lo ./src/step_db.o ./src/GDSIIgeom.lo ./src/GDSIIgeom.o +./src/mpb.lo +./src/mpb.o ./src/susceptibility.lo -./src/susceptibility.o ./src/structure_dump.lo +./src/susceptibility.o ./src/structure_dump.o -./src/mpb.lo -./src/mpb.o ./src/time.lo ./src/time.o +./src/sources.lo ./src/update_eh.lo ./src/update_eh.o -./src/sources.lo ./src/sources.o ./src/update_pols.lo ./src/update_pols.o -./src/stress.lo -./src/stress.o -./src/step.lo ./src/near2far.lo +./src/step.lo ./src/step.o ./src/near2far.o -./src/multilevel-atom.lo -./src/multilevel-atom.o -./src/mympi.lo -./src/mympi.o +./src/stress.lo +./src/stress.o ./src/random.lo ./src/random.o +./src/multilevel-atom.lo +./src/multilevel-atom.o +./src/output_directory.lo +./src/output_directory.o ./src/monitor.lo ./src/monitor.o -./src/boundaries.lo -./src/anisotropic_averaging.lo -./src/output_directory.lo +./src/mympi.lo ./src/integrate2.lo -./src/output_directory.o +./src/mympi.o ./src/integrate2.o -./src/anisotropic_averaging.o -./src/boundaries.o -./src/dft.lo ./src/material_data.lo ./src/material_data.o +./src/anisotropic_averaging.lo +./src/boundaries.lo +./src/anisotropic_averaging.o +./src/dft.lo +./src/boundaries.o +./src/integrate.lo ./src/dft.o -./src/loop_in_chunks.lo -./src/loop_in_chunks.o ./src/initialize.lo -./src/initialize.o -./src/integrate.lo ./src/integrate.o +./src/initialize.o ./src/fields.lo -./src/h5file.lo -./src/h5file.o -./src/h5fields.lo ./src/fields.o +./src/loop_in_chunks.lo +./src/loop_in_chunks.o +./src/h5fields.lo ./src/h5fields.o +./src/array_slice.lo +./src/array_slice.o ./src/fix_boundary_sources.lo -./src/cw_fields.lo ./src/fix_boundary_sources.o +./src/cw_fields.lo ./src/cw_fields.o -./src/array_slice.lo -./src/array_slice.o -./src/fields_dump.lo -./src/fields_dump.o +./src/h5file.lo +./src/h5file.o ./src/casimir.lo -./src/dft_ldos.lo ./src/casimir.o -./src/dft_ldos.o -./src/energy_and_flux.lo -./src/energy_and_flux.o +./src/fields_dump.lo +./src/fields_dump.o ./src/bicgstab.lo ./src/bicgstab.o +./src/dft_ldos.lo ./src/bands.lo +./src/dft_ldos.o +./src/energy_and_flux.lo ./src/bands.o +./src/energy_and_flux.o ./src/sphere-quad.h ./src/sphere_quad ./src/.libs @@ -3495,47 +3531,47 @@ ./src/.libs/libmeep.so ./src/.libs/libmeep.so.33 ./src/.libs/libmeep.so.33.0.0 -./src/.libs/step_generic.o ./src/.libs/step_generic_stride1.o +./src/.libs/step_generic.o ./src/.libs/meepgeom.o ./src/.libs/vec.o ./src/.libs/structure.o ./src/.libs/GDSIIgeom.o +./src/.libs/mpb.o ./src/.libs/step_db.o +./src/.libs/update_pols.o ./src/.libs/susceptibility.o -./src/.libs/mpb.o -./src/.libs/structure_dump.o -./src/.libs/time.o ./src/.libs/update_eh.o -./src/.libs/update_pols.o -./src/.libs/stress.o +./src/.libs/time.o +./src/.libs/structure_dump.o ./src/.libs/sources.o ./src/.libs/step.o +./src/.libs/stress.o ./src/.libs/near2far.o ./src/.libs/random.o +./src/.libs/output_directory.o ./src/.libs/multilevel-atom.o +./src/.libs/monitor.o ./src/.libs/mympi.o -./src/.libs/output_directory.o ./src/.libs/integrate2.o -./src/.libs/monitor.o ./src/.libs/material_data.o ./src/.libs/integrate.o -./src/.libs/loop_in_chunks.o ./src/.libs/initialize.o ./src/.libs/anisotropic_averaging.o ./src/.libs/h5fields.o +./src/.libs/loop_in_chunks.o +./src/.libs/fields.o ./src/.libs/h5file.o -./src/.libs/boundaries.o -./src/.libs/dft.o ./src/.libs/fix_boundary_sources.o -./src/.libs/fields.o +./src/.libs/dft.o +./src/.libs/boundaries.o ./src/.libs/array_slice.o ./src/.libs/cw_fields.o +./src/.libs/casimir.o ./src/.libs/fields_dump.o +./src/.libs/bicgstab.o ./src/.libs/dft_ldos.o -./src/.libs/casimir.o ./src/.libs/energy_and_flux.o -./src/.libs/bicgstab.o ./src/.libs/bands.o ./src/sphere-quad.o ./src/step_generic_stride1.cpp @@ -3615,8 +3651,8 @@ ./scheme/meep-meep_wrap.o ./scheme/meep-structure.o ./scheme/meep-geom.o -./scheme/meep-ctl-io.o ./scheme/meep-meep.o +./scheme/meep-ctl-io.o ./scheme/meep-main.o ./scheme/meep_wrap.cxx ./scheme/meep_wrap.cxx.bak @@ -3625,10 +3661,10 @@ ./scheme/geom.cpp ./scheme/main.cpp ./scheme/meep-enums.scm +./scheme/ctl-io.h ./scheme/meep_swig_bug_workaround.i ./scheme/meep_enum_renames.i ./scheme/meep_renames.i -./scheme/ctl-io.h ./scheme/ctl-io.i ./scheme/meep.scm ./scheme/Makefile @@ -4545,7 +4581,7 @@ FAIL: tests/test_adjoint_solver =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-ko4hi78s 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-5_7lonuy 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 @@ -4566,13 +4602,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.4970 s +Elapsed run time = 0.7812 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-qu6oosh0 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-g1yqcfm_ 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 @@ -4593,13 +4629,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.2408 s +Elapsed run time = 0.4480 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ -Matplotlib created a temporary cache directory at /tmp/matplotlib-u3x3c54r 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-uyaoaeko 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 @@ -4620,7 +4656,7 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3137 s +Elapsed run time = 0.5180 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax @@ -4635,13 +4671,13 @@ FAIL: tests/test_binary_partition_utils ======================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-k3c4uva4 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-x5jplak1 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 = 0.0028 s +Elapsed run time = 0.0113 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating @@ -4656,7 +4692,7 @@ FAIL: tests/test_chunk_balancer =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-t3r_8w0q 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-m6r153i7 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 @@ -4668,7 +4704,7 @@ FAIL: tests/test_get_epsilon_grid ================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-ejy6vfo0 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-_69buc1n 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 @@ -4678,13 +4714,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3979 s +Elapsed run time = 0.1916 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-5kom57xr 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-bak_fm7r 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 @@ -4705,15 +4741,15 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.2143 s +Elapsed run time = 0.1902 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-r3t83dvd 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-ngjh93w0 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/meepakjAzV/test_anisotropic_2d_gap-0 +/tmp/meepnxUejc/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -4756,7 +4792,7 @@ 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: 0.024721622467041016 +elapsed time for initialization: 0.0015773773193359375 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... @@ -4867,7 +4903,7 @@ iteration 52: trace = 0.8320200571439178 (6.46369e-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: 0.2438488006591797 +elapsed time for k point: 0.11802172660827637 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -4962,7 +4998,7 @@ iteration 45: trace = 0.8305318838345979 (5.16792e-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: 0.17744851112365723 +elapsed time for k point: 0.1537935733795166 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5055,7 +5091,7 @@ iteration 44: trace = 0.8299239457452547 (6.26865e-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: 0.164581298828125 +elapsed time for k point: 0.15041851997375488 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. @@ -5156,7 +5192,7 @@ iteration 48: trace = 0.828280840667425 (4.62034e-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: 0.17531871795654297 +elapsed time for k point: 0.1635298728942871 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5239,7 +5275,7 @@ iteration 39: trace = 0.8195746262296728 (5.82628e-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: 0.14448118209838867 +elapsed time for k point: 0.13321924209594727 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5316,7 +5352,7 @@ iteration 36: trace = 0.8152593107299846 (8.54532e-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: 0.22218871116638184 +elapsed time for k point: 0.12292242050170898 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5397,7 +5433,7 @@ iteration 38: trace = 0.8101088212743903 (5.41332e-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: 0.27997827529907227 +elapsed time for k point: 0.1298534870147705 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5476,7 +5512,7 @@ iteration 37: trace = 0.8027830712683004 (5.80017e-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: 0.23276972770690918 +elapsed time for k point: 0.1270458698272705 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5557,7 +5593,7 @@ iteration 38: trace = 0.8027156837865843 (5.44382e-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: 0.24501633644104004 +elapsed time for k point: 0.13044214248657227 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5646,7 +5682,7 @@ iteration 42: trace = 0.811128394246043 (9.45662e-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: 0.25623202323913574 +elapsed time for k point: 0.14359378814697266 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5758,7 +5794,7 @@ iteration 53: trace = 0.8190722270474002 (9.58313e-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: 0.438554048538208 +elapsed time for k point: 0.18035244941711426 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5852,7 +5888,7 @@ iteration 44: trace = 0.8090111116370096 (7.55188e-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: 0.3204174041748047 +elapsed time for k point: 0.1511554718017578 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5925,7 +5961,7 @@ iteration 34: trace = 0.8101014661646312 (5.19273e-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: 0.21282172203063965 +elapsed time for k point: 0.1168375015258789 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -6012,7 +6048,7 @@ iteration 41: trace = 0.8249014819373073 (9.03358e-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: 0.14656424522399902 +elapsed time for k point: 0.14064621925354004 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -6093,7 +6129,7 @@ iteration 38: trace = 0.8293598597555056 (6.98776e-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: 0.15242838859558105 +elapsed time for k point: 0.13060617446899414 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. @@ -6178,7 +6214,7 @@ iteration 40: trace = 0.8320200571443123 (8.06627e-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: 0.11192440986633301 +..elapsed time for k point: 0.09087133407592773 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024688 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.23061915826414672 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.21696776954474586 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855384 at Vector3<0.0, 0.0, 0.0> @@ -6187,15 +6223,15 @@ Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259549 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.34953853766123844 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230428 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011085 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.477306572259159 at Vector3<0.5, 0.5, 0.0> -total elapsed time for run: 3.5546622276306152 +total elapsed time for run: 2.186161994934082 done -/tmp/meepakjAzV/test_anisotropic_2d_gap-0: 3.59s +/tmp/meepnxUejc/test_anisotropic_2d_gap-0: 2.19s -/tmp/meepakjAzV/test_attribute_accessors-0 +/tmp/meepnxUejc/test_attribute_accessors-0 ======================== -/tmp/meepakjAzV/test_attribute_accessors-0: 0.00s +/tmp/meepnxUejc/test_attribute_accessors-0: 0.00s -/tmp/meepakjAzV/test_bragg-0 +/tmp/meepnxUejc/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6223,7 +6259,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> -elapsed time for initialization: 0.00019860267639160156 +elapsed time for initialization: 0.00019407272338867188 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... @@ -6243,29 +6279,25 @@ linmin: converged after 4 iterations. iteration 7: trace = 18.62909545680369 (0.000346654% change) linmin: converged after 4 iterations. - switching to approximate line minimization (decrease time by 52.381%) iteration 8: trace = 18.62908848466774 (3.74261e-05% change) - iteration 9: trace = 18.62908777892164 (3.78841e-06% change) - switching back to exact line minimization - iteration 10: trace = 18.62908770027624 (4.22165e-07% change) - linmin: converged after 6 iterations. - iteration 11: trace = 18.62908769513806 (2.75815e-08% change) - linmin: converged after 3 iterations. - iteration 12: trace = 18.62908769491184 (1.21435e-09% change) - linmin: converged after 3 iterations. - iteration 13: trace = 18.6290876948818 (1.61263e-10% change) - linmin: converged after 3 iterations. - iteration 14: trace = 18.62908769487106 (5.7651e-11% change) -Finished solving for bands 1 to 8 after 14 iterations. + linmin: converged after 4 iterations. + iteration 9: trace = 18.62908777894175 (3.7883e-06% change) + linmin: converged after 16 iterations. + switching to approximate line minimization (decrease time by 53.5912%) + iteration 10: trace = 18.6290877002945 (4.22174e-07% change) + iteration 11: trace = 18.62908769515245 (2.76022e-08% change) + iteration 12: trace = 18.6290876948879 (1.42013e-09% change) + iteration 13: trace = 18.62908769487537 (6.72627e-11% change) +Finished solving for bands 1 to 8 after 13 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: 0.001979827880859375 -total elapsed time for run: 0.00226593017578125 +elapsed time for k point: 0.0018529891967773438 +total elapsed time for run: 0.0021228790283203125 done Fixing h-field (band 8) phase by 0.909537 + -0.415623i; max ampl. = 1.96664 -.Outputting fields to /tmp/meepakjAzV/test_bragg-0-h.k01.b08.y.tm.h5... -/tmp/meepakjAzV/test_bragg-0: 0.01s +.Outputting fields to /tmp/meepnxUejc/test_bragg-0-h.k01.b08.y.tm.h5... +/tmp/meepnxUejc/test_bragg-0: 0.01s -/tmp/meepakjAzV/test_bragg_sine-0 +/tmp/meepnxUejc/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6301,7 +6333,7 @@ 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: 0.0032956600189208984 +elapsed time for initialization: 0.0032706260681152344 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... @@ -6325,245 +6357,244 @@ iteration 8: trace = 11.08038974001353 (0.0163306% change) large trace change predicted (0.0812502%) linmin: converged after 8 iterations. + switching to approximate line minimization (decrease time by 53.7736%) iteration 9: trace = 11.07305304217878 (0.0662353% change) - linmin: converged after 5 iterations. - iteration 10: trace = 11.07180721242442 (0.0112516% change) - linmin: converged after 7 iterations. - iteration 11: trace = 11.07168890779527 (0.00106853% change) - linmin: converged after 6 iterations. - iteration 12: trace = 11.07167968197878 (8.3328e-05% change) - linmin: converged after 4 iterations. - iteration 13: trace = 11.07167908240041 (5.41542e-06% change) - linmin: converged after 10 iterations. - switching to approximate line minimization (decrease time by 51.8868%) - iteration 14: trace = 11.07167889420393 (1.6998e-06% change) - iteration 15: trace = 11.0716779976237 (8.09796e-06% change) - iteration 16: trace = 11.07167518719081 (2.5384e-05% change) - iteration 17: trace = 11.07167456093305 (5.6564e-06% change) - iteration 18: trace = 11.07167451845902 (3.83628e-07% change) - iteration 19: trace = 11.0716745146709 (3.42145e-08% change) - iteration 20: trace = 11.07167451443016 (2.17438e-09% change) - iteration 21: trace = 11.0716745143937 (3.29274e-10% change) - iteration 22: trace = 11.07167451429858 (8.59181e-10% change) - iteration 23: trace = 11.07167451395079 (3.14127e-09% change) - iteration 24: trace = 11.07167451360991 (3.07881e-09% change) - iteration 25: trace = 11.07167451351465 (8.60384e-10% change) - iteration 26: trace = 11.07167451350871 (5.36837e-11% change) -Finished solving for bands 2 to 8 after 26 iterations. + iteration 10: trace = 11.0718551702282 (0.0108185% change) + iteration 11: trace = 11.07168738215056 (0.00151546% change) + iteration 12: trace = 11.07167584861853 (0.000104171% change) + iteration 13: trace = 11.07167482722398 (9.22529e-06% change) + iteration 14: trace = 11.07167476543682 (5.58065e-07% change) + iteration 15: trace = 11.0716747549806 (9.44412e-08% change) + iteration 16: trace = 11.07167473168134 (2.1044e-07% change) + iteration 17: trace = 11.07167463748693 (8.50769e-07% change) + iteration 18: trace = 11.07167453892374 (8.90228e-07% change) + iteration 19: trace = 11.07167451569721 (2.09783e-07% change) + iteration 20: trace = 11.07167451357767 (1.91438e-08% change) + iteration 21: trace = 11.07167451350133 (6.8953e-10% change) + iteration 22: trace = 11.07167451349554 (5.2336e-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: 0.0025320053100585938 +elapsed time for k point: 0.0021028518676757812 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. - iteration 1: trace = 11.04205589335819 (0.320414% change) + iteration 1: trace = 11.04205885056758 (0.320426% change) linmin: converged after 11 iterations. - switching to approximate line minimization (decrease time by 54.1353%) - iteration 2: trace = 11.02779351867074 (0.129248% change) - iteration 3: trace = 11.02770475042544 (0.000804953% change) + switching to approximate line minimization (decrease time by 54.8872%) + iteration 2: trace = 11.02779635508503 (0.129249% change) + iteration 3: trace = 11.02770756454558 (0.000805155% change) switching back to exact line minimization - large trace change predicted (0.0932951%) + large trace change predicted (0.0933079%) linmin: converged after 10 iterations. - iteration 4: trace = 11.01806746706182 (0.0874298% change) - linmin: converged after 6 iterations. - iteration 5: trace = 11.01664404674312 (0.0129198% change) + iteration 4: trace = 11.01807033262635 (0.0874293% change) linmin: converged after 7 iterations. - iteration 6: trace = 11.01540354927172 (0.0112608% change) + iteration 5: trace = 11.0166468865434 (0.01292% change) + linmin: converged after 7 iterations. + iteration 6: trace = 11.01540633442304 (0.0112613% change) linmin: converged after 8 iterations. - iteration 7: trace = 11.01433928375019 (0.00966208% change) + iteration 7: trace = 11.01434196129419 (0.00966305% change) linmin: converged after 7 iterations. - iteration 8: trace = 11.01352665863151 (0.00737816% change) - linmin: converged after 6 iterations. - iteration 9: trace = 11.01297368604901 (0.00502098% change) + iteration 8: trace = 11.01352920197392 (0.00737937% change) + linmin: converged after 5 iterations. + iteration 9: trace = 11.01297613007976 (0.00502188% change) linmin: converged after 6 iterations. - iteration 10: trace = 11.01260367498397 (0.00335983% change) - linmin: converged after 7 iterations. - iteration 11: trace = 11.01234600828291 (0.00233977% change) - linmin: converged after 7 iterations. - iteration 12: trace = 11.01215736521394 (0.00171303% change) + iteration 10: trace = 11.01260605695069 (0.00336039% change) linmin: converged after 5 iterations. - iteration 13: trace = 11.01201270994144 (0.0013136% change) + iteration 11: trace = 11.01234835214424 (0.00234012% change) linmin: converged after 5 iterations. - iteration 14: trace = 11.01189720798149 (0.00104888% change) + iteration 12: trace = 11.01215967399035 (0.00171335% change) linmin: converged after 6 iterations. - iteration 15: trace = 11.01180164458289 (0.000867823% change) - linmin: converged after 6 iterations. - iteration 16: trace = 11.01172002227122 (0.000741229% change) + iteration 13: trace = 11.01201499954482 (0.00131378% change) linmin: converged after 5 iterations. - iteration 17: trace = 11.01164825313236 (0.000651754% change) + iteration 14: trace = 11.01189948472351 (0.00104899% change) linmin: converged after 5 iterations. - iteration 18: trace = 11.01158341982805 (0.000588772% change) + iteration 15: trace = 11.01180391223825 (0.000867906% change) linmin: converged after 5 iterations. - iteration 19: trace = 11.01152333759738 (0.000545629% change) + iteration 16: trace = 11.0117222830064 (0.000741291% change) linmin: converged after 5 iterations. - iteration 20: trace = 11.01146628263761 (0.00051814% change) + iteration 17: trace = 11.01165050840828 (0.000651804% change) + linmin: converged after 6 iterations. + iteration 18: trace = 11.01158567093939 (0.00058881% change) linmin: converged after 5 iterations. - iteration 21: trace = 11.01141081766347 (0.000503703% change) + iteration 19: trace = 11.01152558548767 (0.000545658% change) linmin: converged after 5 iterations. - iteration 22: trace = 11.01135567480688 (0.00050078% change) + iteration 20: trace = 11.0114685281144 (0.000518162% change) linmin: converged after 5 iterations. - iteration 23: trace = 11.01129967373822 (0.000508577% change) + iteration 21: trace = 11.01141306160417 (0.000503717% change) + linmin: converged after 6 iterations. + iteration 22: trace = 11.01135791780445 (0.000500789% change) linmin: converged after 5 iterations. - iteration 24: trace = 11.01124166425714 (0.000526819% change) - linmin: converged after 7 iterations. - iteration 25: trace = 11.01118048582044 (0.000555601% change) + iteration 23: trace = 11.01130191660444 (0.000508578% change) + linmin: converged after 5 iterations. + iteration 24: trace = 11.01124390771548 (0.000526814% change) + linmin: converged after 5 iterations. + iteration 25: trace = 11.01118273068295 (0.000555588% change) linmin: converged after 5 iterations. - iteration 26: trace = 11.01111494136685 (0.000595255% change) + iteration 26: trace = 11.0111171887037 (0.000595233% change) linmin: converged after 5 iterations. - iteration 27: trace = 11.01104378715495 (0.000646206% change) + iteration 27: trace = 11.0110460374304 (0.000646179% change) linmin: converged after 5 iterations. - iteration 28: trace = 11.01096573549305 (0.000708851% change) + iteration 28: trace = 11.01096798998334 (0.000708813% change) linmin: converged after 5 iterations. - iteration 29: trace = 11.01087947554889 (0.000783403% change) + iteration 29: trace = 11.01088173460725 (0.000783362% change) + linmin: converged after 5 iterations. + iteration 30: trace = 11.01078597286151 (0.000869705% change) linmin: converged after 6 iterations. - iteration 30: trace = 11.01078370865238 (0.000869752% change) + iteration 31: trace = 11.01067946646418 (0.000967296% change) linmin: converged after 6 iterations. - iteration 31: trace = 11.01067719511959 (0.000967361% change) - linmin: converged after 7 iterations. - iteration 32: trace = 11.0105588184778 (0.00107511% change) + iteration 32: trace = 11.0105610977607 (0.00107504% change) linmin: converged after 6 iterations. - iteration 33: trace = 11.01042763386273 (0.00119145% change) + iteration 33: trace = 11.01042992143743 (0.00119138% change) linmin: converged after 5 iterations. - iteration 34: trace = 11.0102829332154 (0.00131422% change) - linmin: converged after 7 iterations. - iteration 35: trace = 11.01012428690288 (0.0014409% change) - linmin: converged after 7 iterations. - iteration 36: trace = 11.00995166081934 (0.0015679% change) + iteration 34: trace = 11.01028522938204 (0.00131414% change) linmin: converged after 6 iterations. - iteration 37: trace = 11.00976540309208 (0.00169174% change) - linmin: converged after 7 iterations. - iteration 38: trace = 11.0095663406236 (0.00180807% change) + iteration 35: trace = 11.01012659114741 (0.00144083% change) + linmin: converged after 8 iterations. + iteration 36: trace = 11.00995395003416 (0.00156803% change) linmin: converged after 5 iterations. - iteration 39: trace = 11.00935597949786 (0.00191073% change) + iteration 37: trace = 11.0097676965816 (0.0016917% change) + linmin: converged after 9 iterations. + iteration 38: trace = 11.00956863771681 (0.00180804% change) linmin: converged after 6 iterations. - iteration 40: trace = 11.00913645340698 (0.00199402% change) - linmin: converged after 5 iterations. - iteration 41: trace = 11.00891053152842 (0.00205215% change) - linmin: converged after 8 iterations. - iteration 42: trace = 11.00868145429236 (0.00208086% change) + iteration 39: trace = 11.00935831101851 (0.00191042% change) linmin: converged after 6 iterations. - iteration 43: trace = 11.00845263388484 (0.00207857% change) + iteration 40: trace = 11.00913878166834 (0.00199404% change) linmin: converged after 5 iterations. - iteration 44: trace = 11.00822723038049 (0.00204757% change) - linmin: converged after 8 iterations. - iteration 45: trace = 11.00800786328904 (0.00199278% change) + iteration 41: trace = 11.00891285241233 (0.00205222% change) linmin: converged after 6 iterations. - iteration 46: trace = 11.00779643783161 (0.00192067% change) - linmin: converged after 5 iterations. - iteration 47: trace = 11.00759390248773 (0.00183994% change) + iteration 42: trace = 11.00868376390975 (0.00208096% change) + linmin: converged after 7 iterations. + iteration 43: trace = 11.00845491961931 (0.00207878% change) linmin: converged after 6 iterations. - iteration 48: trace = 11.00740071738865 (0.00175503% change) + iteration 44: trace = 11.00822949899477 (0.00204773% change) + linmin: converged after 10 iterations. + iteration 45: trace = 11.00801011363937 (0.00199294% change) + linmin: converged after 7 iterations. + iteration 46: trace = 11.0077986675151 (0.00192086% change) + linmin: converged after 5 iterations. + iteration 47: trace = 11.00759617139002 (0.00183959% change) linmin: converged after 5 iterations. - iteration 49: trace = 11.00721679634582 (0.0016709% change) + iteration 48: trace = 11.00740296941726 (0.00175518% change) linmin: converged after 7 iterations. - iteration 50: trace = 11.00704174241288 (0.00159037% change) + iteration 49: trace = 11.00721903296603 (0.00167104% change) linmin: converged after 6 iterations. - iteration 51: trace = 11.00687501456139 (0.00151475% change) - linmin: converged after 5 iterations. - iteration 52: trace = 11.00671594221069 (0.00144522% change) + iteration 50: trace = 11.00704399426007 (0.00159023% change) + linmin: converged after 7 iterations. + iteration 51: trace = 11.00687725507133 (0.00151485% change) linmin: converged after 5 iterations. - iteration 53: trace = 11.0065639269633 (0.00138112% change) + iteration 52: trace = 11.00671817156224 (0.00144532% change) linmin: converged after 6 iterations. - iteration 54: trace = 11.00641839206615 (0.00132226% change) + iteration 53: trace = 11.0065661463084 (0.00138121% change) linmin: converged after 6 iterations. - iteration 55: trace = 11.00627882365528 (0.00126807% change) + iteration 54: trace = 11.00642061590904 (0.00132222% change) linmin: converged after 6 iterations. - iteration 56: trace = 11.00614477805909 (0.00121791% change) + iteration 55: trace = 11.00628103862918 (0.00126815% change) + linmin: converged after 8 iterations. + iteration 56: trace = 11.00614699491774 (0.00121789% change) linmin: converged after 5 iterations. - iteration 57: trace = 11.00601589002765 (0.00117106% change) + iteration 57: trace = 11.00601808942158 (0.00117122% change) linmin: converged after 6 iterations. - iteration 58: trace = 11.00589182996989 (0.00112721% change) - linmin: converged after 5 iterations. - iteration 59: trace = 11.00577235804738 (0.00108553% change) + iteration 58: trace = 11.00589402077153 (0.00112729% change) + linmin: converged after 7 iterations. + iteration 59: trace = 11.00577453298309 (0.00108568% change) + linmin: converged after 7 iterations. + iteration 60: trace = 11.00565941562075 (0.00104598% change) linmin: converged after 6 iterations. - iteration 60: trace = 11.00565724990092 (0.00104589% change) - linmin: converged after 5 iterations. - iteration 61: trace = 11.0055463444867 (0.00100772% change) - linmin: converged after 5 iterations. - iteration 62: trace = 11.00543948448586 (0.00097097% change) - linmin: converged after 5 iterations. - iteration 63: trace = 11.00533654887428 (0.00093532% change) + iteration 61: trace = 11.00554850024816 (0.00100781% change) linmin: converged after 6 iterations. - iteration 64: trace = 11.00523742354759 (0.000900706% change) - linmin: converged after 5 iterations. - iteration 65: trace = 11.00514200366712 (0.000867044% change) + iteration 62: trace = 11.00544163452863 (0.000971021% change) + linmin: converged after 6 iterations. + iteration 63: trace = 11.00533869184573 (0.000935384% change) + linmin: converged after 9 iterations. + iteration 64: trace = 11.00523955809644 (0.000900783% change) + linmin: converged after 6 iterations. + iteration 65: trace = 11.00514412590821 (0.000867156% change) + linmin: converged after 10 iterations. + iteration 66: trace = 11.00505228972321 (0.000834488% change) linmin: converged after 5 iterations. - iteration 66: trace = 11.00505018069374 (0.000834368% change) + iteration 67: trace = 11.00496394276719 (0.000802789% change) linmin: converged after 5 iterations. - iteration 67: trace = 11.00496184504172 (0.000802686% change) - linmin: converged after 7 iterations. - iteration 68: trace = 11.00487689134744 (0.000771961% change) - linmin: converged after 5 iterations. - iteration 69: trace = 11.00479520018456 (0.000742321% change) + iteration 68: trace = 11.0048789751688 (0.000772087% change) + linmin: converged after 6 iterations. + iteration 69: trace = 11.00479727111871 (0.000742438% change) resetting CG direction... - large trace change predicted (0.115539%) - linmin: converged after 7 iterations. - iteration 70: trace = 10.99202103429551 (0.116146% change) + large trace change predicted (0.115568%) linmin: converged after 6 iterations. - iteration 71: trace = 10.99062236117629 (0.0127252% change) - linmin: converged after 8 iterations. - iteration 72: trace = 10.98948431511006 (0.0103552% change) + iteration 70: trace = 10.99201989737992 (0.116175% change) linmin: converged after 6 iterations. - iteration 73: trace = 10.98818648561436 (0.0118104% change) + iteration 71: trace = 10.99062147881691 (0.0127229% change) + linmin: converged after 6 iterations. + iteration 72: trace = 10.98948416307343 (0.0103486% change) + linmin: converged after 6 iterations. + iteration 73: trace = 10.98818662579648 (0.0118078% change) linmin: converged after 5 iterations. - iteration 74: trace = 10.98802559188107 (0.00146425% change) - linmin: converged after 4 iterations. - iteration 75: trace = 10.98801515639975 (9.49714e-05% change) + iteration 74: trace = 10.98802559995692 (0.00146546% change) linmin: converged after 5 iterations. - iteration 76: trace = 10.98801412705257 (9.36791e-06% change) + iteration 75: trace = 10.9880151574464 (9.50354e-05% change) + linmin: converged after 4 iterations. + iteration 76: trace = 10.98801412705663 (9.3774e-06% change) linmin: converged after 5 iterations. - iteration 77: trace = 10.9880140963765 (2.79178e-07% change) + iteration 77: trace = 10.98801409643007 (2.78727e-07% change) linmin: converged after 4 iterations. - iteration 78: trace = 10.98801409322136 (2.87144e-08% change) + iteration 78: trace = 10.98801409329762 (2.85079e-08% change) linmin: converged after 3 iterations. - iteration 79: trace = 10.98801409310473 (1.06138e-09% change) - linmin: converged after 4 iterations. - iteration 80: trace = 10.98801409303983 (5.90652e-10% change) + iteration 79: trace = 10.98801409293707 (3.28126e-09% change) + linmin: converged after 3 iterations. + iteration 80: trace = 10.98801409300962 (6.60232e-10% change) + linmin: converged after 5 iterations. + iteration 81: trace = 10.9880140929078 (9.26637e-10% change) + linmin: converged after 7 iterations. + iteration 82: trace = 10.9880140931434 (2.14415e-09% change) + linmin: converged after 7 iterations. + iteration 83: trace = 10.98801409312642 (1.54518e-10% change) linmin: converged after 4 iterations. - iteration 81: trace = 10.98801409311148 (6.5202e-10% change) + iteration 84: trace = 10.98801409299903 (1.1594e-09% change) linmin: converged after 3 iterations. - iteration 82: trace = 10.98801409299052 (1.1008e-09% change) + iteration 85: trace = 10.98801409287622 (1.11763e-09% change) linmin: converged after 3 iterations. - iteration 83: trace = 10.98801409304876 (5.29996e-10% change) - linmin: converged after 4 iterations. - iteration 84: trace = 10.98801409304146 (6.64274e-11% change) -Finished solving for bands 1 to 8 after 84 iterations. + iteration 86: trace = 10.98801409278802 (8.02706e-10% change) + linmin: converged after 6 iterations. + iteration 87: trace = 10.98801409293536 (1.34091e-09% change) + linmin: converged after 5 iterations. + iteration 88: trace = 10.98801409293536 (0% change) +Finished solving for bands 1 to 8 after 88 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: 0.011743545532226562 +elapsed time for k point: 0.01107168197631836 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. - iteration 1: trace = 10.90376046824373 (0.00793522% change) + iteration 1: trace = 10.90376042943604 (0.0079351% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.90359830907354 (0.0014872% change) + iteration 2: trace = 10.90359828634564 (0.00148705% change) linmin: converged after 3 iterations. - iteration 3: trace = 10.90350960463483 (0.000813537% change) - linmin: converged after 7 iterations. - iteration 4: trace = 10.90345230354924 (0.00052553% change) + iteration 3: trace = 10.90350959896131 (0.000813381% change) linmin: converged after 4 iterations. - iteration 5: trace = 10.90344655289567 (5.27416e-05% change) - linmin: converged after 5 iterations. - iteration 6: trace = 10.90344608445378 (4.29627e-06% change) + iteration 4: trace = 10.90345230344732 (0.000525479% change) + linmin: converged after 3 iterations. + iteration 5: trace = 10.90344655290034 (5.27406e-05% change) + linmin: converged after 4 iterations. + iteration 6: trace = 10.90344608445431 (4.29631e-06% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.90344604871542 (3.27771e-07% change) + iteration 7: trace = 10.90344604871543 (3.27776e-07% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.9034460473527 (1.24981e-08% change) + iteration 8: trace = 10.90344604735269 (1.24982e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 10.9034460473056 (4.31926e-10% change) linmin: converged after 2 iterations. - iteration 10: trace = 10.90344604730442 (1.08829e-11% change) + iteration 10: trace = 10.90344604730442 (1.08666e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 -elapsed time for k point: 0.0013134479522705078 +elapsed time for k point: 0.0012335777282714844 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.82874318743302 (0.00713648% change) + iteration 1: trace = 10.82874318743825 (0.00713648% change) linmin: converged after 3 iterations. - iteration 2: trace = 10.82865179048751 (0.000844025% change) - linmin: converged after 4 iterations. - iteration 3: trace = 10.8286391456429 (0.000116772% change) + iteration 2: trace = 10.82865179049032 (0.000844025% change) linmin: converged after 5 iterations. - iteration 4: trace = 10.82863201430636 (6.58563e-05% change) + iteration 3: trace = 10.82863914564416 (0.000116772% change) + linmin: converged after 5 iterations. + iteration 4: trace = 10.82863201430645 (6.58563e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.82863047384795 (1.42258e-05% change) linmin: converged after 2 iterations. @@ -6571,49 +6602,46 @@ linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11044e-07% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.82863032376797 (4.70661e-09% change) + iteration 8: trace = 10.82863032376797 (4.7066e-09% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.8286303237533 (1.35499e-10% change) - linmin: converged after 4 iterations. - iteration 10: trace = 10.82863032375297 (3.01838e-12% change) + iteration 9: trace = 10.8286303237533 (1.35516e-10% change) + linmin: converged after 2 iterations. + iteration 10: trace = 10.82863032375297 (3.00198e-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: 0.0012328624725341797 +elapsed time for k point: 0.0012214183807373047 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.76383414066022 (0.00702665% change) + iteration 1: trace = 10.76383414066021 (0.00702665% change) linmin: converged after 4 iterations. iteration 2: trace = 10.76375283235569 (0.000755387% change) linmin: converged after 4 iterations. iteration 3: trace = 10.76374658323256 (5.80571e-05% change) - linmin: converged after 5 iterations. + linmin: converged after 4 iterations. iteration 4: trace = 10.76374528581931 (1.20535e-05% change) - linmin: converged after 5 iterations. + linmin: converged after 19 iterations. + switching to approximate line minimization (decrease time by 64.5714%) iteration 5: trace = 10.76374486740369 (3.88727e-06% change) - linmin: converged after 2 iterations. - iteration 6: trace = 10.76374482182858 (4.23413e-07% change) - linmin: converged after 2 iterations. + iteration 6: trace = 10.76374482182859 (4.23413e-07% change) iteration 7: trace = 10.76374481723281 (4.26968e-08% change) - linmin: converged after 2 iterations. - iteration 8: trace = 10.76374481699878 (2.17426e-09% change) - linmin: converged after 2 iterations. - iteration 9: trace = 10.76374481699274 (5.60942e-11% change) + iteration 8: trace = 10.76374481699878 (2.17421e-09% change) + iteration 9: trace = 10.76374481699274 (5.61437e-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: 0.0011150836944580078 +elapsed time for k point: 0.0010972023010253906 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.70890918978214 (0.00701169% change) + iteration 1: trace = 10.70890918978488 (0.00701169% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.70883098425239 (0.000730287% change) - linmin: converged after 5 iterations. - iteration 3: trace = 10.70882611989432 (4.54238e-05% change) + iteration 2: trace = 10.70883098425325 (0.000730287% change) + linmin: converged after 4 iterations. + iteration 3: trace = 10.70882611989467 (4.54238e-05% change) linmin: converged after 2 iterations. - iteration 4: trace = 10.70882574797966 (3.47297e-06% change) + iteration 4: trace = 10.70882574797976 (3.47298e-06% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.70882564389908 (9.71914e-07% change) + iteration 5: trace = 10.70882564389909 (9.71915e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. @@ -6621,61 +6649,61 @@ linmin: converged after 2 iterations. iteration 8: trace = 10.70882562781417 (1.07346e-09% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.70882562781128 (2.70049e-11% change) + iteration 9: trace = 10.70882562781128 (2.69717e-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: 0.0011031627655029297 +elapsed time for k point: 0.0011055469512939453 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.66396644581557 (0.00701938% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6638895643872 (0.000720948% change) - linmin: converged after 6 iterations. + linmin: converged after 4 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. - iteration 4: trace = 10.66388497807411 (1.68249e-06% change) + iteration 4: trace = 10.6638849780741 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.66388494762052 (3.59533e-08% change) + iteration 6: trace = 10.66388494762051 (3.59533e-08% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.66388494718304 (4.10246e-09% change) + iteration 7: trace = 10.66388494718304 (4.10244e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 10.66388494713199 (4.78709e-10% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.66388494713049 (1.40424e-11% change) + iteration 9: trace = 10.66388494713049 (1.39925e-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: 0.0011432170867919922 +elapsed time for k point: 0.0010988712310791016 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.62900860023464 (0.00703179% change) + iteration 1: trace = 10.62900860023463 (0.00703179% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6289323953069 (0.000716955% change) linmin: converged after 5 iterations. iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. - iteration 4: trace = 10.62892805633392 (1.18399e-06% change) + 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 (9.72507e-09% change) + iteration 6: trace = 10.62892804604186 (9.72509e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.62892804597542 (6.2508e-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 (6.7017e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 -elapsed time for k point: 0.0011112689971923828 +elapsed time for k point: 0.0011081695556640625 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) - linmin: converged after 4 iterations. + linmin: converged after 5 iterations. iteration 2: trace = 10.60396176516587 (0.000715115% change) linmin: converged after 5 iterations. iteration 3: trace = 10.6039576473093 (3.88332e-05% change) @@ -6686,20 +6714,20 @@ linmin: converged after 2 iterations. iteration 6: trace = 10.60395753572879 (4.03789e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.60395753570917 (1.85074e-10% change) + iteration 7: trace = 10.60395753570917 (1.85041e-10% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.6039575357088 (3.45088e-12% change) + iteration 8: trace = 10.6039575357088 (3.46763e-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: 0.000997781753540039 +elapsed time for k point: 0.001016855239868164 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58905458874505 (0.00704958% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.58897895638373 (0.000714253% change) - linmin: converged after 6 iterations. - iteration 3: trace = 10.58897488550179 (3.84445e-05% change) + iteration 2: trace = 10.58897895638372 (0.000714253% change) + linmin: converged after 5 iterations. + iteration 3: trace = 10.5889748855018 (3.84445e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58897478737543 (9.26684e-07% change) linmin: converged after 2 iterations. @@ -6707,54 +6735,53 @@ linmin: converged after 2 iterations. iteration 6: trace = 10.58897478378886 (2.18198e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.58897478377235 (1.55962e-10% change) + iteration 7: trace = 10.58897478377234 (1.55979e-10% change) linmin: converged after 2 iterations. - switching to approximate line minimization (decrease time by 65.6805%) - iteration 8: trace = 10.58897478377204 (2.91894e-12% change) + iteration 8: trace = 10.58897478377203 (2.91894e-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: 0.009207725524902344 +elapsed time for k point: 0.0010037422180175781 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) linmin: converged after 4 iterations. iteration 2: trace = 10.58398461985988 (0.000713897% change) - linmin: converged after 4 iterations. + linmin: converged after 5 iterations. iteration 3: trace = 10.58398056403726 (3.83204e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58398046806651 (9.06755e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58398046509703 (2.80564e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.58398046493152 (1.56375e-09% change) + iteration 6: trace = 10.58398046493153 (1.5637e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.58398046491724 (1.34939e-10% change) + iteration 7: trace = 10.58398046491724 (1.34972e-10% change) linmin: converged after 1 iterations. iteration 8: trace = 10.58398046491708 (1.51051e-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: 0.001005411148071289 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0> -Band 2 range: 0.30640302623084414 at Vector3<0.5, 0.0, 0.0> to 0.46877485258675194 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 0.5466257501316379 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541639 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 0.7842615905093814 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437461 at Vector3<0.0, 0.0, 0.0> -Band 5 range: 1.0240548648146843 at Vector3<0.0, 0.0, 0.0> to 1.244098004202587 at Vector3<0.5, 0.0, 0.0> -Band 6 range: 1.2666566861855073 at Vector3<0.5, 0.0, 0.0> to 1.4970379696966398 at Vector3<0.0, 0.0, 0.0> -Band 7 range: 1.5115800994652084 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910488 at Vector3<0.5, 0.0, 0.0> -Band 8 range: 1.7581683208483643 at Vector3<0.5, 0.0, 0.0> to 1.9999072006824996 at Vector3<0.0, 0.0, 0.0> -Gap from band 1 (0.19477466366820304) to band 2 (0.30640302623084414), 44.54642128428603% -Gap from band 2 (0.46877485258675194) to band 3 (0.5466257501316379), 15.334026262436064% -Gap from band 3 (0.7316504426541639) to band 4 (0.7842615905093814), 6.941187444158442% -Gap from band 4 (0.9893486155437461) to band 5 (1.0240548648146843), 3.447520540171089% -Gap from band 5 (1.244098004202587) to band 6 (1.2666566861855073), 1.7969642410133866% -Gap from band 6 (1.4970379696966398) to band 7 (1.5115800994652084), 0.9666982936534588% -Gap from band 7 (1.7488359039910488) to band 8 (1.7581683208483643), 0.532215889060857% -total elapsed time for run: 0.03633236885070801 +.elapsed time for k point: 0.00098419189453125 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820315 at Vector3<0.5, 0.0, 0.0> +Band 2 range: 0.30640302623084564 at Vector3<0.5, 0.0, 0.0> to 0.46877485258673895 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.5466257501319842 at Vector3<0.0, 0.0, 0.0> to 0.731650442654164 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 0.7842615905093829 at Vector3<0.5, 0.0, 0.0> to 0.9893486155436776 at Vector3<0.0, 0.0, 0.0> +Band 5 range: 1.0240548648147414 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025878 at Vector3<0.5, 0.0, 0.0> +Band 6 range: 1.266656686185508 at Vector3<0.5, 0.0, 0.0> to 1.4970379696968046 at Vector3<0.0, 0.0, 0.0> +Band 7 range: 1.5115800994650028 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910506 at Vector3<0.5, 0.0, 0.0> +Band 8 range: 1.7581683208483656 at Vector3<0.5, 0.0, 0.0> to 1.999907200678982 at Vector3<0.0, 0.0, 0.0> +Gap from band 1 (0.19477466366820315) to band 2 (0.30640302623084564), 44.546421284286446% +Gap from band 2 (0.46877485258673895) to band 3 (0.5466257501319842), 15.334026262501794% +Gap from band 3 (0.731650442654164) to band 4 (0.7842615905093829), 6.941187444158624% +Gap from band 4 (0.9893486155436776) to band 5 (1.0240548648147414), 3.447520540183582% +Gap from band 5 (1.2440980042025878) to band 6 (1.266656686185508), 1.796964241013386% +Gap from band 6 (1.4970379696968046) to band 7 (1.5115800994650028), 0.9666982936288513% +Gap from band 7 (1.7488359039910506) to band 8 (1.7581683208483656), 0.5322158890608313% +total elapsed time for run: 0.026757240295410156 done -/tmp/meepakjAzV/test_bragg_sine-0: 0.04s +/tmp/meepnxUejc/test_bragg_sine-0: 0.03s -/tmp/meepakjAzV/test_compute_field_energy-0 +/tmp/meepnxUejc/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6797,7 +6824,7 @@ 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: 0.0013802051544189453 +elapsed time for initialization: 0.0014119148254394531 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... @@ -6908,7 +6935,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.17809200286865234 +elapsed time for k point: 0.14428043365478516 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7159,7 +7186,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.4784812927246094 +elapsed time for k point: 0.4014267921447754 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7216,7 +7243,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.10454702377319336 +elapsed time for k point: 0.0879974365234375 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7269,7 +7296,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.08401846885681152 +elapsed time for k point: 0.08074283599853516 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7330,7 +7357,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.09705424308776855 +elapsed time for k point: 0.09379720687866211 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7423,7 +7450,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.1557636260986328 +elapsed time for k point: 0.14536523818969727 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7494,7 +7521,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.11970806121826172 +elapsed time for k point: 0.11027908325195312 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7555,7 +7582,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.105560302734375 +elapsed time for k point: 0.09376645088195801 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7608,7 +7635,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.09279751777648926 +elapsed time for k point: 0.08089160919189453 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7660,7 +7687,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.08064961433410645 +elapsed time for k point: 0.07744097709655762 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7712,7 +7739,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.08215188980102539 +elapsed time for k point: 0.07729673385620117 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7753,7 +7780,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.07102394104003906 +elapsed time for k point: 0.06100058555603027 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7800,7 +7827,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.1274402141571045 +elapsed time for k point: 0.07095813751220703 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7863,7 +7890,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.20988011360168457 +elapsed time for k point: 0.09775161743164062 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7936,7 +7963,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.1746678352355957 +elapsed time for k point: 0.1144864559173584 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -8131,7 +8158,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.26380109786987305 +elapsed time for k point: 0.25367188453674316 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -8143,13 +8170,13 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.4283299446105957 +total elapsed time for run: 1.9937992095947266 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 -./tmp/meepakjAzV/test_compute_field_energy-0: 2.48s +./tmp/meepnxUejc/test_compute_field_energy-0: 2.00s -/tmp/meepakjAzV/test_compute_group_velocity-0 +/tmp/meepnxUejc/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -8192,7 +8219,7 @@ 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: 0.0013480186462402344 +elapsed time for initialization: 0.0013756752014160156 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... @@ -8303,7 +8330,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.23158788681030273 +elapsed time for k point: 0.1428394317626953 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8554,7 +8581,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.5100226402282715 +elapsed time for k point: 0.3995964527130127 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8611,7 +8638,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.12947893142700195 +elapsed time for k point: 0.08831501007080078 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8664,7 +8691,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.1427321434020996 +elapsed time for k point: 0.08159112930297852 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8725,7 +8752,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.21703648567199707 +elapsed time for k point: 0.09458017349243164 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8818,7 +8845,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.1720414161682129 +elapsed time for k point: 0.14765334129333496 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8889,7 +8916,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.12295961380004883 +elapsed time for k point: 0.11140584945678711 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8950,7 +8977,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.09958314895629883 +elapsed time for k point: 0.09473705291748047 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9003,7 +9030,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.08756804466247559 +elapsed time for k point: 0.0821847915649414 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9055,7 +9082,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.08787298202514648 +elapsed time for k point: 0.07843494415283203 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9107,7 +9134,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.08376049995422363 +elapsed time for k point: 0.07818484306335449 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9148,7 +9175,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.12842965126037598 +elapsed time for k point: 0.06190776824951172 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9195,7 +9222,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.15621280670166016 +elapsed time for k point: 0.07159423828125 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9258,7 +9285,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.20474791526794434 +elapsed time for k point: 0.09818005561828613 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9331,7 +9358,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.24210619926452637 +elapsed time for k point: 0.11509847640991211 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -9526,7 +9553,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.5305328369140625 +.elapsed time for k point: 0.2572765350341797 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -9538,11 +9565,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 3.1494157314300537 +total elapsed time for run: 2.00624418258667 done -/tmp/meepakjAzV/test_compute_group_velocity-0: 3.15s +/tmp/meepnxUejc/test_compute_group_velocity-0: 2.01s -/tmp/meepakjAzV/test_compute_integrals-0 +/tmp/meepnxUejc/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -9585,7 +9612,7 @@ 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: 0.0013661384582519531 +elapsed time for initialization: 0.0013668537139892578 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... @@ -9696,7 +9723,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.15787386894226074 +elapsed time for k point: 0.14443254470825195 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -9947,7 +9974,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.43328428268432617 +elapsed time for k point: 0.40198636054992676 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10004,7 +10031,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.12329769134521484 +elapsed time for k point: 0.08868741989135742 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10057,7 +10084,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.12310123443603516 +elapsed time for k point: 0.08163928985595703 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10118,7 +10145,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.19754385948181152 +elapsed time for k point: 0.09447622299194336 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10211,7 +10238,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.31261634826660156 +elapsed time for k point: 0.14771270751953125 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -10282,7 +10309,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.23850655555725098 +elapsed time for k point: 0.11204981803894043 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10343,7 +10370,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.2013702392578125 +elapsed time for k point: 0.09527587890625 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10396,7 +10423,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.17014241218566895 +elapsed time for k point: 0.08246588706970215 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10448,7 +10475,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.08956646919250488 +elapsed time for k point: 0.07790207862854004 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10500,7 +10527,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.08382701873779297 +elapsed time for k point: 0.07813382148742676 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10541,7 +10568,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.07568788528442383 +elapsed time for k point: 0.06152176856994629 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10588,7 +10615,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.12440347671508789 +elapsed time for k point: 0.07161116600036621 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10651,7 +10678,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.15784883499145508 +elapsed time for k point: 0.09790301322937012 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10724,7 +10751,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.21283912658691406 +elapsed time for k point: 0.11451220512390137 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -10919,7 +10946,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.44932079315185547 +elapsed time for k point: 0.2555708885192871 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -10931,14 +10958,14 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 3.153890371322632 +total elapsed time for run: 2.0085654258728027 done Fixing h-field (band 8) phase by -1 + 2.58922e-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/meepakjAzV/test_compute_integrals-0: 3.16s +./tmp/meepnxUejc/test_compute_integrals-0: 2.01s -/tmp/meepakjAzV/test_diamond-0 +/tmp/meepnxUejc/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance @@ -10998,7 +11025,7 @@ 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: 0.0309600830078125 +elapsed time for initialization: 0.020634174346923828 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... @@ -11115,7 +11142,7 @@ iteration 54: trace = 1.074849137530269 (7.18493e-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: 0.9177517890930176 +elapsed time for k point: 0.4011540412902832 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11189,7 +11216,7 @@ iteration 34: trace = 1.072165047038117 (4.88547e-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: 0.5256273746490479 +elapsed time for k point: 0.2525157928466797 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11254,7 +11281,7 @@ iteration 30: trace = 1.06549928654484 (4.31794e-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: 0.2451179027557373 +elapsed time for k point: 0.22429871559143066 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11317,7 +11344,7 @@ iteration 29: trace = 1.057289581654965 (3.30141e-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: 0.22890973091125488 +elapsed time for k point: 0.21845245361328125 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11378,7 +11405,7 @@ iteration 28: trace = 1.049127496701628 (7.79284e-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: 0.3745107650756836 +elapsed time for k point: 0.21071410179138184 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11477,26 +11504,26 @@ iteration 45: trace = 1.041449469149446 (8.38971e-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: 0.5942425727844238 +elapsed time for k point: 0.3350851535797119 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/meepakjAzV/test_diamond-0-dpwr.k06.b01.h5... +Outputting /tmp/meepnxUejc/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/meepakjAzV/test_diamond-0-dpwr.k06.b02.h5... +Outputting /tmp/meepnxUejc/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/meepakjAzV/test_diamond-0-dpwr.k06.b03.h5... +Outputting /tmp/meepnxUejc/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/meepakjAzV/test_diamond-0-dpwr.k06.b04.h5... +Outputting /tmp/meepnxUejc/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, 0.435374, 0.326046 -Outputting /tmp/meepakjAzV/test_diamond-0-dpwr.k06.b05.h5... +Outputting /tmp/meepnxUejc/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... @@ -11591,7 +11618,7 @@ iteration 44: trace = 1.012177885713607 (8.00492e-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: 0.34984397888183594 +elapsed time for k point: 0.32668352127075195 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11800,7 +11827,7 @@ iteration 98: trace = 0.9843245997396673 (8.04646e-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: 1.0803945064544678 +elapsed time for k point: 0.7216718196868896 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11861,7 +11888,7 @@ iteration 28: trace = 0.9576556581103823 (3.54518e-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: 0.3199954032897949 +elapsed time for k point: 0.21050620079040527 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11920,7 +11947,7 @@ iteration 27: trace = 0.9411112577617193 (6.08486e-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: 0.33028364181518555 +elapsed time for k point: 0.20485973358154297 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11975,7 +12002,7 @@ iteration 25: trace = 0.9357235226332373 (8.36591e-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: 0.3793156147003174 +elapsed time for k point: 0.18851399421691895 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. @@ -12026,7 +12053,7 @@ iteration 23: trace = 0.945790283755921 (2.37354e-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: 0.21143746376037598 +elapsed time for k point: 0.17351365089416504 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. @@ -12079,7 +12106,7 @@ iteration 24: trace = 0.9752654264419814 (4.54328e-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: 0.20559310913085938 +elapsed time for k point: 0.1800839900970459 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. @@ -12142,7 +12169,7 @@ iteration 29: trace = 1.018103142805607 (4.32485e-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: 0.24800395965576172 +elapsed time for k point: 0.21776509284973145 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -12225,7 +12252,7 @@ iteration 39: trace = 1.053033043400877 (3.26625e-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: 0.33620190620422363 +elapsed time for k point: 0.2930943965911865 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. @@ -12290,7 +12317,7 @@ iteration 30: trace = 1.064751580635709 (6.98613e-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: 0.13528656959533691 +elapsed time for k point: 0.1177678108215332 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -12353,7 +12380,7 @@ iteration 29: trace = 1.0539009862981 (7.6817e-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: 0.23985886573791504 +elapsed time for k point: 0.21547341346740723 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12422,7 +12449,7 @@ iteration 32: trace = 1.050698953929234 (7.01406e-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: 0.3028414249420166 +elapsed time for k point: 0.23831939697265625 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -12832,7 +12859,7 @@ iteration 196: trace = 1.068626525298606 (3.68195e-11% change) Finished solving for bands 1 to 5 after 196 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: 2.3607308864593506 +elapsed time for k point: 1.4400444030761719 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13069,7 +13096,7 @@ iteration 111: trace = 1.073945835690725 (7.52385e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 -elapsed time for k point: 1.4064748287200928 +elapsed time for k point: 0.8170890808105469 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13150,7 +13177,7 @@ iteration 38: trace = 1.074849137511864 (9.60194e-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: 0.37249135971069336 +elapsed time for k point: 0.285538911819458 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13266,7 +13293,7 @@ iteration 54: trace = 1.072295938991753 (8.20841e-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: 0.40665388107299805 +elapsed time for k point: 0.40604424476623535 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13355,7 +13382,7 @@ iteration 41: trace = 1.068969931035931 (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: 0.3205287456512451 +elapsed time for k point: 0.30818653106689453 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13447,7 +13474,7 @@ iteration 43: trace = 1.06642153190616 (5.37402e-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: 0.33727550506591797 +elapsed time for k point: 0.32121920585632324 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13539,7 +13566,7 @@ iteration 42: trace = 1.064700431018219 (3.82692e-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: 0.35031700134277344 +elapsed time for k point: 0.3141350746154785 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13698,7 +13725,7 @@ iteration 73: trace = 1.065402856570094 (7.29448e-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: 0.9792416095733643 +elapsed time for k point: 0.5381419658660889 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13787,7 +13814,7 @@ iteration 42: trace = 1.057545258821419 (4.71365e-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: 0.6573624610900879 +elapsed time for k point: 0.31235289573669434 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13852,7 +13879,7 @@ iteration 30: trace = 1.048737745947218 (6.70535e-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: 0.26168179512023926 +elapsed time for k point: 0.22348976135253906 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13923,7 +13950,7 @@ iteration 33: trace = 1.042055197882125 (5.9919e-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: 0.2797398567199707 +elapsed time for k point: 0.24505209922790527 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -14006,7 +14033,7 @@ iteration 39: trace = 1.039345689984557 (8.34473e-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: 0.30940794944763184 +elapsed time for k point: 0.288593053817749 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -14122,18 +14149,18 @@ iteration 54: trace = 1.040877620150959 (8.65244e-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: 0.4901161193847656 +Felapsed time for k point: 0.40033650398254395 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905434 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080591 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729864 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254649 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.44355516512198084 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898843 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148895 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926983 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967658014080591) to band 3 (0.44237076681729864), 10.869497799550526% -total elapsed time for run: 15.605463981628418 +total elapsed time for run: 10.668105840682983 done -/tmp/meepakjAzV/test_diamond-0: 15.62s +/tmp/meepnxUejc/test_diamond-0: 10.67s -/tmp/meepakjAzV/test_epsilon_input_file-0 +/tmp/meepnxUejc/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -14175,7 +14202,7 @@ 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: 0.003114938735961914 +elapsed time for initialization: 0.002188444137573242 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... @@ -14304,7 +14331,7 @@ iteration 61: trace = 5.414470666068269 (7.20619e-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: 0.235001802444458 +elapsed time for k point: 0.1651010513305664 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14353,7 +14380,7 @@ iteration 22: trace = 5.384693219081496 (7.55613e-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: 0.09375667572021484 +elapsed time for k point: 0.07404136657714844 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14396,7 +14423,7 @@ iteration 19: trace = 5.344827613715934 (7.49783e-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: 0.14992141723632812 +elapsed time for k point: 0.06463289260864258 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14443,7 +14470,7 @@ iteration 21: trace = 5.332538776580063 (2.57999e-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: 0.15063118934631348 +elapsed time for k point: 0.07092475891113281 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14496,7 +14523,7 @@ iteration 24: trace = 5.352151659035269 (5.8563e-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: 0.10886430740356445 +elapsed time for k point: 0.08044028282165527 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14567,7 +14594,7 @@ iteration 33: trace = 5.378204986194199 (9.66258e-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: 0.13111042976379395 +elapsed time for k point: 0.11030793190002441 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14622,7 +14649,7 @@ iteration 25: trace = 5.28099171481807 (8.74389e-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: 0.09613442420959473 +elapsed time for k point: 0.08408832550048828 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14671,7 +14698,7 @@ iteration 22: trace = 5.121436678029978 (6.86584e-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: 0.08272933959960938 +elapsed time for k point: 0.07413959503173828 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14710,7 +14737,7 @@ iteration 17: trace = 4.989265495381122 (5.02544e-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: 0.06634926795959473 +elapsed time for k point: 0.05801558494567871 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14747,7 +14774,7 @@ iteration 16: trace = 4.906005206120695 (8.89083e-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: 0.06326150894165039 +elapsed time for k point: 0.054703712463378906 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -14784,7 +14811,7 @@ iteration 16: trace = 4.877776571705265 (7.49469e-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: 0.05620265007019043 +elapsed time for k point: 0.05457735061645508 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14821,7 +14848,7 @@ iteration 16: trace = 4.933541210214663 (4.67714e-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: 0.05619359016418457 +elapsed time for k point: 0.05443167686462402 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14866,7 +14893,7 @@ iteration 20: trace = 5.086788979299679 (3.46416e-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: 0.07355523109436035 +elapsed time for k point: 0.0676114559173584 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14921,7 +14948,7 @@ iteration 25: trace = 5.263256512288837 (3.40876e-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: 0.08718156814575195 +elapsed time for k point: 0.0845346450805664 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14980,7 +15007,7 @@ iteration 27: trace = 5.362887848881172 (8.62858e-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: 0.09694266319274902 +elapsed time for k point: 0.09038734436035156 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -15058,7 +15085,7 @@ iteration 36: trace = 5.414470666066693 (4.41918e-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: 0.10548043251037598 +F.elapsed time for k point: 0.09830403327941895 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772992 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059654 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814894 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009817 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255618 at Vector3<0.0, 0.0, 0.0> @@ -15070,15 +15097,15 @@ Gap from band 2 (0.5781812856814894) to band 3 (0.5781815082009817), 3.848610374769843e-05% Gap from band 4 (0.8051999839699239) to band 5 (0.8170847453549143), 1.4651880980149015% Gap from band 7 (1.0580309832489807) to band 8 (1.0660233597945281), 0.7525585747580559% -total elapsed time for run: 1.6578545570373535 +total elapsed time for run: 1.2897052764892578 done -/tmp/meepakjAzV/test_epsilon_input_file-0: 1.66s +/tmp/meepnxUejc/test_epsilon_input_file-0: 1.29s -/tmp/meepakjAzV/test_first_brillouin_zone-0 +/tmp/meepnxUejc/test_first_brillouin_zone-0 ======================== -/tmp/meepakjAzV/test_first_brillouin_zone-0: 0.10s +/tmp/meepnxUejc/test_first_brillouin_zone-0: 0.10s -/tmp/meepakjAzV/test_fractional_lattice-0 +/tmp/meepnxUejc/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15121,7 +15148,7 @@ 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: 0.00020051002502441406 +elapsed time for initialization: 0.0001995563507080078 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... @@ -15130,148 +15157,144 @@ linmin: converged after 7 iterations. iteration 2: trace = 83.8504910917422 (11.9223% change) linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 51.7857%) + switching to approximate line minimization (decrease time by 53.7037%) iteration 3: trace = 83.3461110942816 (0.603338% change) - switching back to exact line minimization iteration 4: trace = 83.3335997859713 (0.0150124% change) - linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 51.7857%) - iteration 5: trace = 83.33333949083101 (0.000312354% change) - iteration 6: trace = 83.33333352467446 (7.15939e-06% change) - iteration 7: trace = 83.33333333657133 (2.25724e-07% change) - iteration 8: trace = 83.33333333338308 (3.8259e-09% change) - iteration 9: trace = 83.33333333333447 (5.83384e-11% change) + iteration 5: trace = 83.33333949085052 (0.000312354% change) + iteration 6: trace = 83.33333352466033 (7.15943e-06% change) + iteration 7: trace = 83.33333333657092 (2.25707e-07% change) + iteration 8: trace = 83.33333333338274 (3.82581e-09% change) + iteration 9: trace = 83.33333333333437 (5.80485e-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: 0.0010821819305419922 +elapsed time for k point: 0.0010499954223632812 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... - linmin: converged after 6 iterations. - iteration 1: trace = 82.33333333334657 (0.722248% change) + linmin: converged after 10 iterations. + iteration 1: trace = 82.33333333334654 (0.722248% change) linmin: converged after 2 iterations. - iteration 2: trace = 82.33333333333381 (1.54996e-11% change) + iteration 2: trace = 82.33333333333381 (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: 0.0006232261657714844 +elapsed time for k point: 0.0006639957427978516 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 82.66666666666671 (5.84479e-13% change) + iteration 1: trace = 82.66666666666671 (5.67288e-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: 0.0001595020294189453 +elapsed time for k point: 0.0001723766326904297 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 = 84.33333333333334 (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: 0.00015234947204589844 +elapsed time for k point: 0.00015425682067871094 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 54.0541%) + switching to approximate line minimization (decrease time by 57.7465%) iteration 1: trace = 87.33333333333333 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 -elapsed time for k point: 0.00017642974853515625 +elapsed time for k point: 0.00017523765563964844 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... - linmin: converged after 43 iterations. - iteration 1: trace = 91.66666666666667 (4.65083e-14% change) + linmin: converged after 1 iterations. + iteration 1: trace = 91.66666666666669 (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: 0.0003829002380371094 +elapsed time for k point: 0.00014901161193847656 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace - linmin: converged after 10 iterations. - switching to approximate line minimization (decrease time by 70.6897%) - iteration 1: trace = 90.66666666672047 (3.571% change) - iteration 2: trace = 90.66666699924725 (3.66757e-07% change) - iteration 3: trace = 90.66666666666711 (3.66816e-07% change) - iteration 4: trace = 90.66666666666673 (4.23191e-13% change) + linmin: converged after 8 iterations. + switching to approximate line minimization (decrease time by 63.4146%) + iteration 1: trace = 90.66666666676359 (3.571% change) + iteration 2: trace = 90.66666762987174 (1.06225e-06% change) + iteration 3: trace = 90.66666666666723 (1.06236e-06% change) + iteration 4: trace = 90.66666666666674 (5.32907e-13% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 -elapsed time for k point: 0.00035834312438964844 +elapsed time for k point: 0.00031447410583496094 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 (7.80816e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 -elapsed time for k point: 0.00015473365783691406 +elapsed time for k point: 0.00014925003051757812 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... 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: 0.0001518726348876953 +elapsed time for k point: 0.00014781951904296875 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... - linmin: converged after 37 iterations. - iteration 1: trace = 95.66666666666667 (1.48546e-14% change) + linmin: converged after 46 iterations. + iteration 1: trace = 95.66666666666666 (0% 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: 0.00032973289489746094 +elapsed time for k point: 0.00036644935607910156 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... - linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 55.2239%) + linmin: converged after 6 iterations. + switching to approximate line minimization (decrease time by 54.0541%) iteration 1: trace = 100 (0% 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: 0.0001804828643798828 +elapsed time for k point: 0.00017118453979492188 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... - linmin: converged after 37 iterations. - iteration 1: trace = 91.33333333333333 (0% change) + linmin: converged after 1 iterations. + 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: 0.0003299713134765625 +elapsed time for k point: 0.00014781951904296875 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... - linmin: converged after 4 iterations. - iteration 1: trace = 85.33333333333331 (6.66134e-14% change) + linmin: converged after 46 iterations. + iteration 1: trace = 85.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 -elapsed time for k point: 0.00016427040100097656 +elapsed time for k point: 0.0003795623779296875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... - linmin: converged after 43 iterations. - iteration 1: trace = 82.00000000000003 (3.46606e-14% change) + linmin: converged after 1 iterations. + iteration 1: trace = 82 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 -elapsed time for k point: 0.0003571510314941406 +elapsed time for k point: 0.00015425682067871094 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... - linmin: converged after 53 iterations. - switching to approximate line minimization (decrease time by 89.4389%) - iteration 1: trace = 81.33333333333331 (3.49447e-14% change) + linmin: converged after 40 iterations. + iteration 1: trace = 81.33333333333334 (1.74724e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 -elapsed time for k point: 0.0004057884216308594 +elapsed time for k point: 0.00036025047302246094 solve_kpoint (0,0,0): Solving for bands 2 to 8... - linmin: converged after 3 iterations. - iteration 1: trace = 83.33333333333331 (3.41061e-14% change) + linmin: converged after 33 iterations. + iteration 1: trace = 83.33333333333334 (0% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 -.elapsed time for k point: 0.0001456737518310547 -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: 1.4433756729740652 at Vector3<0.5, 0.0, 0.0> to 2.8867513459481295 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 2.041241452319316 at Vector3<0.5, 0.5, 0.0> to 3.227486121839512 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 2.0412414523193174 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109064 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> -Band 5 range: 2.886751345948131 at Vector3<0.0, 0.0, 0.0> to 4.564354645876381 at Vector3<0.5, 0.5, 0.0> -Band 6 range: 3.2274861218395166 at Vector3<0.5, 0.0, 0.0> to 4.5643546458763815 at Vector3<0.5, 0.5, 0.0> -Band 7 range: 3.6968455021364734 at Vector3<0.2, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> -Band 8 range: 4.082482904638631 at Vector3<0.0, 0.0, 0.0> to 5.204164998665331 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.0057294368743896484 +.elapsed time for k point: 0.00026035308837890625 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.041241452319313 at Vector3<0.5, 0.5, 0.0> +Band 2 range: 1.443375672974069 at Vector3<0.5, 0.0, 0.0> to 2.886751345948136 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 2.041241452319315 at Vector3<0.5, 0.5, 0.0> to 3.227486121839512 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 2.041241452319317 at Vector3<0.5, 0.5, 0.0> to 3.265986323710903 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> +Band 5 range: 2.8867513459481304 at Vector3<0.0, 0.0, 0.0> to 4.564354645876378 at Vector3<0.5, 0.5, 0.0> +Band 6 range: 3.2274861218395166 at Vector3<0.5, 0.0, 0.0> to 4.564354645876382 at Vector3<0.5, 0.5, 0.0> +Band 7 range: 3.696845502136475 at Vector3<0.2, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> +Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665331 at Vector3<0.5, 0.0, 0.0> +total elapsed time for run: 0.005381584167480469 done -/tmp/meepakjAzV/test_fractional_lattice-0: 0.01s +/tmp/meepnxUejc/test_fractional_lattice-0: 0.01s -/tmp/meepakjAzV/test_get_bfield-0 +/tmp/meepnxUejc/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15314,7 +15337,7 @@ 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: 0.0015156269073486328 +elapsed time for initialization: 0.0014562606811523438 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... @@ -15425,7 +15448,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.16633272171020508 +elapsed time for k point: 0.14388799667358398 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15676,7 +15699,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.44757866859436035 +elapsed time for k point: 0.4004936218261719 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15733,7 +15756,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.09541773796081543 +elapsed time for k point: 0.08838939666748047 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15786,7 +15809,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.08555412292480469 +elapsed time for k point: 0.08103322982788086 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15847,7 +15870,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.1041114330291748 +elapsed time for k point: 0.09423708915710449 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15940,7 +15963,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.1555631160736084 +elapsed time for k point: 0.14674615859985352 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -16011,7 +16034,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.11989927291870117 +elapsed time for k point: 0.1109929084777832 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16072,7 +16095,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.11450338363647461 +elapsed time for k point: 0.09421753883361816 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16125,7 +16148,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.09589004516601562 +elapsed time for k point: 0.08154416084289551 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16177,7 +16200,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.11853265762329102 +elapsed time for k point: 0.07802987098693848 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16229,7 +16252,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.09015583992004395 +elapsed time for k point: 0.0777137279510498 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16270,7 +16293,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.0930030345916748 +elapsed time for k point: 0.06139349937438965 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16317,7 +16340,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.10025596618652344 +elapsed time for k point: 0.07111001014709473 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16380,7 +16403,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.14833545684814453 +elapsed time for k point: 0.09710955619812012 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16453,7 +16476,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.11931538581848145 +elapsed time for k point: 0.11387491226196289 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -16648,7 +16671,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.3003382682800293 +elapsed time for k point: 0.25400686264038086 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -16660,12 +16683,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.358839988708496 +total elapsed time for run: 1.9974830150604248 done Fixing b-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 -./tmp/meepakjAzV/test_get_bfield-0: 2.37s +./tmp/meepnxUejc/test_get_bfield-0: 2.00s -/tmp/meepakjAzV/test_get_dfield-0 +/tmp/meepnxUejc/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -16708,7 +16731,7 @@ 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: 0.001367330551147461 +elapsed time for initialization: 0.0013446807861328125 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... @@ -16819,7 +16842,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.3020608425140381 +elapsed time for k point: 0.14350104331970215 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17070,7 +17093,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.8372828960418701 +elapsed time for k point: 0.39998817443847656 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17127,7 +17150,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.1738910675048828 +elapsed time for k point: 0.08847808837890625 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17180,7 +17203,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.08275794982910156 +elapsed time for k point: 0.08135581016540527 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17241,7 +17264,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.1147146224975586 +elapsed time for k point: 0.09402680397033691 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17334,7 +17357,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.15281152725219727 +elapsed time for k point: 0.14620041847229004 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17405,7 +17428,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.11529326438903809 +elapsed time for k point: 0.11057233810424805 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17466,7 +17489,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.15311312675476074 +elapsed time for k point: 0.093536376953125 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17519,7 +17542,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.160780668258667 +elapsed time for k point: 0.08068180084228516 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17571,7 +17594,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.16440176963806152 +elapsed time for k point: 0.0774538516998291 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17623,7 +17646,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.12306928634643555 +elapsed time for k point: 0.07715964317321777 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17664,7 +17687,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.06208443641662598 +elapsed time for k point: 0.06103801727294922 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17711,7 +17734,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.07587003707885742 +elapsed time for k point: 0.07104015350341797 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17774,7 +17797,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.1597754955291748 +elapsed time for k point: 0.09729290008544922 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17847,7 +17870,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.23961734771728516 +elapsed time for k point: 0.1138143539428711 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -18042,7 +18065,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.5391156673431396 +elapsed time for k point: 0.254209041595459 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -18054,12 +18077,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 3.459266185760498 +total elapsed time for run: 1.992887020111084 done Fixing d-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 8.66842 -./tmp/meepakjAzV/test_get_dfield-0: 3.47s +./tmp/meepnxUejc/test_get_dfield-0: 2.00s -/tmp/meepakjAzV/test_get_efield-0 +/tmp/meepnxUejc/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -18102,7 +18125,7 @@ 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: 0.0013577938079833984 +elapsed time for initialization: 0.0013284683227539062 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... @@ -18213,7 +18236,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.33438682556152344 +elapsed time for k point: 0.14362287521362305 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18464,7 +18487,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.8404760360717773 +elapsed time for k point: 0.3996286392211914 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18521,7 +18544,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.1565999984741211 +elapsed time for k point: 0.08789563179016113 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18574,7 +18597,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.11032390594482422 +elapsed time for k point: 0.08133220672607422 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18635,7 +18658,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.16341304779052734 +elapsed time for k point: 0.09403038024902344 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18728,7 +18751,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.32683277130126953 +elapsed time for k point: 0.14629173278808594 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18799,7 +18822,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.2362985610961914 +elapsed time for k point: 0.11044669151306152 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18860,7 +18883,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.21116018295288086 +elapsed time for k point: 0.09405207633972168 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18913,7 +18936,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.0912320613861084 +elapsed time for k point: 0.08107733726501465 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18965,7 +18988,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.0925741195678711 +elapsed time for k point: 0.07777929306030273 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19017,7 +19040,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.08153867721557617 +elapsed time for k point: 0.07755160331726074 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19058,7 +19081,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.0678715705871582 +elapsed time for k point: 0.06137537956237793 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19105,7 +19128,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.10108470916748047 +elapsed time for k point: 0.0712735652923584 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19168,7 +19191,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.1277003288269043 +elapsed time for k point: 0.09732627868652344 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19241,7 +19264,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.11620545387268066 +elapsed time for k point: 0.1142125129699707 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -19436,7 +19459,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.28373146057128906 +elapsed time for k point: 0.2540004253387451 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -19448,12 +19471,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 3.344076633453369 +total elapsed time for run: 1.9944686889648438 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 -./tmp/meepakjAzV/test_get_efield-0: 3.35s +./tmp/meepnxUejc/test_get_efield-0: 2.00s -/tmp/meepakjAzV/test_get_eigenvectors-0 +/tmp/meepnxUejc/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -19496,7 +19519,7 @@ 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: 0.0013511180877685547 +elapsed time for initialization: 0.0013496875762939453 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... @@ -19607,7 +19630,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.22710180282592773 +elapsed time for k point: 0.14361190795898438 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 @@ -19866,7 +19889,7 @@ iteration 121: trace = 5.540497242579402 (3.79446e-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: 0.49630022048950195 +elapsed time for k point: 0.3998095989227295 Fixing h-field (band 1) phase by -1 + 2.59125e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113246i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000421577 + -1i; max ampl. = 3.73536 @@ -19931,7 +19954,7 @@ iteration 26: trace = 5.499374946276071 (6.76223e-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: 0.11646032333374023 +elapsed time for k point: 0.08717656135559082 Fixing h-field (band 1) phase by 1 + -4.11365e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.201e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10219e-09 + 1i; max ampl. = 2.65638 @@ -19992,7 +20015,7 @@ iteration 24: trace = 5.485459080087866 (6.13982e-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: 0.190659761428833 +elapsed time for k point: 0.08095741271972656 Fixing h-field (band 1) phase by 1 + 7.44546e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -1.25145e-13i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.75073e-13i; max ampl. = 2.62315 @@ -20061,7 +20084,7 @@ 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: 0.12729167938232422 +elapsed time for k point: 0.09398770332336426 Fixing h-field (band 1) phase by 1 + 9.1952e-18i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -1.24699e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.89889e-15i; max ampl. = 3.69829 @@ -20162,7 +20185,7 @@ iteration 44: trace = 5.538866868553962 (9.68056e-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: 0.17647218704223633 +elapsed time for k point: 0.14624500274658203 Fixing h-field (band 1) phase by 1 + -8.3688e-17i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 2.73398e-18i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + 2.92499e-15i; max ampl. = 4.1103 @@ -20241,7 +20264,7 @@ iteration 33: trace = 5.419797732958387 (9.11646e-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: 0.13317561149597168 +elapsed time for k point: 0.11110734939575195 Fixing h-field (band 1) phase by 1 + -2.73517e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + -6.3175e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + 2.50805e-13i; max ampl. = 3.95334 @@ -20310,7 +20333,7 @@ iteration 28: trace = 5.240853948733923 (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: 0.1006009578704834 +elapsed time for k point: 0.09377121925354004 Fixing h-field (band 1) phase by 1 + 5.7372e-16i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + 9.3105e-13i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + 6.29261e-13i; max ampl. = 3.50756 @@ -20371,7 +20394,7 @@ iteration 24: trace = 5.096544273410623 (7.59995e-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: 0.12325811386108398 +elapsed time for k point: 0.08065247535705566 Fixing h-field (band 1) phase by -1 + 7.04169e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + -1.57493e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by -1 + -8.3309e-13i; max ampl. = 2.78416 @@ -20431,7 +20454,7 @@ iteration 23: trace = 5.006436496341392 (6.08507e-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: 0.1639084815979004 +elapsed time for k point: 0.07792544364929199 Fixing h-field (band 1) phase by 1 + -1.79442e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -4.56205e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + 9.55568e-16i; max ampl. = 1.66014 @@ -20491,7 +20514,7 @@ iteration 23: trace = 4.975984265381781 (5.45653e-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: 0.11291289329528809 +elapsed time for k point: 0.07777285575866699 Fixing h-field (band 1) phase by 1 + -1.87958e-17i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.02546e-13i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.01376e-13 + 1i; max ampl. = 1.85505 @@ -20540,7 +20563,7 @@ iteration 18: trace = 5.036378479895266 (5.46517e-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: 0.08025336265563965 +elapsed time for k point: 0.0610806941986084 Fixing h-field (band 1) phase by 1 + -4.27711e-17i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.20874e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -8.38065e-10 + -1i; max ampl. = 1.92561 @@ -20595,7 +20618,7 @@ iteration 21: trace = 5.206566305891688 (3.92353e-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: 0.07710599899291992 +elapsed time for k point: 0.07125544548034668 Fixing h-field (band 1) phase by 1 + 1.28137e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + 5.34357e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -5.2077e-10 + 1i; max ampl. = 2.16532 @@ -20666,7 +20689,7 @@ iteration 29: trace = 5.417088766409225 (6.16157e-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: 0.10357236862182617 +elapsed time for k point: 0.09728741645812988 Fixing h-field (band 1) phase by 1 + 1.45835e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -3.55376e-15i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -7.62302e-11 + 1i; max ampl. = 2.6696 @@ -20747,7 +20770,7 @@ iteration 34: trace = 5.522267645664741 (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: 0.12050724029541016 +elapsed time for k point: 0.1145777702331543 Fixing h-field (band 1) phase by 1 + -6.59241e-17i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 2.71862e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by 2.63682e-10 + 1i; max ampl. = 3.59476 @@ -20950,7 +20973,7 @@ iteration 93: trace = 5.548117725324982 (3.6996e-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: 0.31456995010375977 +elapsed time for k point: 0.2549257278442383 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + -2.32469e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -3.17397e-12 + 1i; max ampl. = 4.27896 @@ -20970,11 +20993,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677085) to band 5 (0.8241814443502149), 1.7739824912428712% Gap from band 7 (1.086072932359415) to band 8 (1.0878689635052698), 0.16523267243447132% -total elapsed time for run: 2.6877946853637695 +total elapsed time for run: 2.006906509399414 done -/tmp/meepakjAzV/test_get_eigenvectors-0: 2.78s +/tmp/meepnxUejc/test_get_eigenvectors-0: 2.02s -/tmp/meepakjAzV/test_get_hfield-0 +/tmp/meepnxUejc/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -21017,7 +21040,7 @@ 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: 0.004155874252319336 +elapsed time for initialization: 0.00141143798828125 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... @@ -21128,7 +21151,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.37755894660949707 +elapsed time for k point: 0.14093470573425293 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21379,7 +21402,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.46974849700927734 +elapsed time for k point: 0.3970165252685547 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21436,7 +21459,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.09111499786376953 +elapsed time for k point: 0.0871889591217041 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21489,7 +21512,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.08600568771362305 +elapsed time for k point: 0.08025407791137695 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21550,7 +21573,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.12661147117614746 +elapsed time for k point: 0.09287214279174805 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21643,7 +21666,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.15311670303344727 +elapsed time for k point: 0.14512228965759277 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21714,7 +21737,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.11789059638977051 +elapsed time for k point: 0.11039972305297852 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21775,7 +21798,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.09982848167419434 +elapsed time for k point: 0.09366774559020996 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21828,7 +21851,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.09146261215209961 +elapsed time for k point: 0.0805654525756836 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21880,7 +21903,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.11330366134643555 +elapsed time for k point: 0.07722711563110352 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21932,7 +21955,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.1571674346923828 +elapsed time for k point: 0.0769357681274414 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21973,7 +21996,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.12819218635559082 +elapsed time for k point: 0.06087660789489746 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22020,7 +22043,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.1473686695098877 +elapsed time for k point: 0.07063674926757812 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22083,7 +22106,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.20978116989135742 +elapsed time for k point: 0.09634232521057129 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22156,7 +22179,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.23902201652526855 +elapsed time for k point: 0.1131134033203125 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -22351,7 +22374,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.36415624618530273 +elapsed time for k point: 0.25057554244995117 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -22363,12 +22386,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.9777960777282715 +total elapsed time for run: 1.9764552116394043 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 -./tmp/meepakjAzV/test_get_hfield-0: 3.00s +./tmp/meepnxUejc/test_get_hfield-0: 1.98s -/tmp/meepakjAzV/test_handle_cvector-0 +/tmp/meepnxUejc/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -22411,7 +22434,7 @@ 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: 0.0015079975128173828 +elapsed time for initialization: 0.0014653205871582031 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... @@ -22466,7 +22489,7 @@ iteration 24: trace = 4.577894626572792 (4.43323e-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: 0.13853859901428223 +elapsed time for k point: 0.06669187545776367 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22507,7 +22530,7 @@ iteration 18: trace = 4.546667003404457 (4.25075e-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: 0.12800240516662598 +elapsed time for k point: 0.0609281063079834 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22542,7 +22565,7 @@ iteration 15: trace = 4.456771796562712 (4.07144e-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: 0.1110386848449707 +elapsed time for k point: 0.05132484436035156 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22575,7 +22598,7 @@ iteration 14: trace = 4.364565233298253 (3.14811e-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: 0.10399270057678223 +elapsed time for k point: 0.04834771156311035 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22606,7 +22629,7 @@ iteration 13: trace = 4.304069964437598 (7.1957e-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: 0.0945277214050293 +elapsed time for k point: 0.044754981994628906 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22637,7 +22660,7 @@ iteration 13: trace = 4.283477065616427 (4.15529e-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: 0.0917656421661377 +elapsed time for k point: 0.0447843074798584 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22666,7 +22689,7 @@ iteration 12: trace = 4.264474631199773 (8.73084e-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: 0.08699202537536621 +elapsed time for k point: 0.04167819023132324 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22695,7 +22718,7 @@ iteration 12: trace = 4.228595652264469 (8.10758e-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: 0.08715200424194336 +elapsed time for k point: 0.0415501594543457 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22720,7 +22743,7 @@ iteration 10: trace = 4.19657782122971 (9.14088e-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: 0.0725395679473877 +elapsed time for k point: 0.03497719764709473 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22745,7 +22768,7 @@ iteration 10: trace = 4.175651761333511 (5.29421e-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: 0.07671141624450684 +elapsed time for k point: 0.03521609306335449 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22768,7 +22791,7 @@ iteration 9: trace = 4.168411689609142 (8.90435e-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: 0.06546735763549805 +elapsed time for k point: 0.03161430358886719 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 @@ -22803,7 +22826,7 @@ iteration 11: trace = 4.1978540503093 (1.33083e-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: 0.07990241050720215 +elapsed time for k point: 0.03840899467468262 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22832,7 +22855,7 @@ iteration 12: trace = 4.283266488990683 (1.10938e-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: 0.08755183219909668 +elapsed time for k point: 0.041706085205078125 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22863,7 +22886,7 @@ iteration 13: trace = 4.410102274545237 (2.53155e-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: 0.09508657455444336 +elapsed time for k point: 0.04474306106567383 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22902,7 +22925,7 @@ iteration 17: trace = 4.5345176227572 (7.85245e-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: 0.12075471878051758 +elapsed time for k point: 0.05789780616760254 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -22939,7 +22962,7 @@ iteration 16: trace = 4.577894626572483 (2.56293e-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: 0.0953512191772461 +elapsed time for k point: 0.04510927200317383 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> @@ -22953,7 +22976,7 @@ Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% -total elapsed time for run: 1.5400972366333008 +total elapsed time for run: 0.73439621925354 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -22971,9 +22994,9 @@ imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 -./tmp/meepakjAzV/test_handle_cvector-0: 1.64s +./tmp/meepnxUejc/test_handle_cvector-0: 0.76s -/tmp/meepakjAzV/test_hermitian_eps-0 +/tmp/meepnxUejc/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance @@ -23011,7 +23034,7 @@ 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: 0.0018007755279541016 +elapsed time for initialization: 0.0016617774963378906 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... @@ -27577,7 +27600,7 @@ iteration 2030: trace = 2.393039434225272 (7.40075e-11% change) Finished solving for bands 2 to 10 after 2030 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: 19.39186191558838 +elapsed time for k point: 14.786699056625366 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -30822,7 +30845,7 @@ iteration 1433: trace = 2.412629746890513 (6.19207e-11% change) Finished solving for bands 1 to 10 after 1433 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: 16.268218994140625 +elapsed time for k point: 12.38219404220581 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -34019,7 +34042,7 @@ iteration 1428: trace = 2.451789422816662 (7.25058e-11% change) Finished solving for bands 1 to 10 after 1428 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: 17.931602239608765 +elapsed time for k point: 12.358574390411377 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -36831,7 +36854,7 @@ iteration 1256: trace = 2.449292757899889 (8.6976e-11% change) Finished solving for bands 1 to 10 after 1256 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: 23.349722146987915 +elapsed time for k point: 10.89861536026001 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -39141,7 +39164,7 @@ iteration 1019: trace = 2.485865194954441 (8.38206e-11% change) Finished solving for bands 1 to 10 after 1019 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: 22.95714807510376 +elapsed time for k point: 8.895709753036499 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. @@ -40693,7 +40716,7 @@ iteration 690: trace = 2.578881665319939 (9.58133e-11% change) Finished solving for bands 1 to 10 after 690 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: 16.398466110229492 +elapsed time for k point: 6.018050193786621 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -41798,7 +41821,7 @@ iteration 487: trace = 2.65386095711466 (8.93747e-11% change) Finished solving for bands 1 to 10 after 487 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: 10.914948225021362 +elapsed time for k point: 4.236422300338745 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -43228,7 +43251,7 @@ iteration 627: trace = 2.532226604633134 (7.77087e-11% change) Finished solving for bands 1 to 10 after 627 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: 12.73344087600708 +elapsed time for k point: 5.456627607345581 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -45189,7 +45212,7 @@ iteration 866: trace = 2.429159854377398 (7.48266e-11% change) Finished solving for bands 1 to 10 after 866 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: 20.642446994781494 +elapsed time for k point: 7.539760112762451 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. @@ -46635,7 +46658,7 @@ iteration 641: trace = 2.393039431913088 (6.48029e-11% change) Finished solving for bands 2 to 10 after 641 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: 12.967268943786621 +.elapsed time for k point: 4.608718395233154 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2156485263339956 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.2658849785678317 at Vector3<0.0, 0.0, 0.0> to 0.3546302405484167 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.35621423559129134 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517839886 at Vector3<0.5, 0.0, 0.0> @@ -46651,11 +46674,11 @@ Gap from band 3 (0.36527833517839886) to band 4 (0.36899013666801306), 1.0110202553789074% Gap from band 7 (0.6079200818300042) to band 8 (0.6150518764785363), 1.1663055068565722% Gap from band 8 (0.63568078470799) to band 9 (0.6397097609337264), 0.6318027430114279% -total elapsed time for run: 173.55779361724854 +total elapsed time for run: 87.18391060829163 done -/tmp/meepakjAzV/test_hermitian_eps-0: 173.56s +/tmp/meepnxUejc/test_hermitian_eps-0: 87.19s -/tmp/meepakjAzV/test_hole_slab-0 +/tmp/meepnxUejc/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance @@ -46689,7 +46712,7 @@ Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -elapsed time for initialization: 0.32189130783081055 +elapsed time for initialization: 0.10680699348449707 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... @@ -46758,17 +46781,17 @@ iteration 31: trace = 2.187958069704355 (9.20265e-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: 49.35407519340515 -total elapsed time for run: 49.67607045173645 +elapsed time for k point: 17.6782488822937 +total elapsed time for run: 17.785157680511475 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 -FOutputting fields to /tmp/meepakjAzV/test_hole_slab-0-h.k01.b09.z.zeven.h5... +FOutputting fields to /tmp/meepnxUejc/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 = 1.6024538855398855 s -/tmp/meepakjAzV/test_hole_slab-0: 49.76s +mean time per iteration = 0.5737147638874669 s +/tmp/meepnxUejc/test_hole_slab-0: 17.81s -/tmp/meepakjAzV/test_honey_rods-0 +/tmp/meepnxUejc/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -46813,7 +46836,7 @@ 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: 0.0015604496002197266 +elapsed time for initialization: 0.0015172958374023438 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... @@ -46899,7 +46922,7 @@ iteration 38: trace = 4.384870359114471 (2.59878e-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: 0.20758676528930664 +elapsed time for k point: 0.10468840599060059 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46973,7 +46996,7 @@ iteration 34: trace = 4.363900038828961 (4.25985e-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: 0.22470355033874512 +elapsed time for k point: 0.11437487602233887 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47012,7 +47035,7 @@ iteration 17: trace = 4.325994457593159 (2.54382e-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: 0.15192270278930664 +elapsed time for k point: 0.058246612548828125 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47049,7 +47072,7 @@ iteration 16: trace = 4.298080976434065 (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: 0.15797042846679688 +elapsed time for k point: 0.05441713333129883 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47084,7 +47107,7 @@ iteration 15: trace = 4.286087121421341 (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: 0.15439081192016602 +elapsed time for k point: 0.05137181282043457 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47115,7 +47138,7 @@ iteration 13: trace = 4.283886820302828 (6.59102e-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: 0.13520145416259766 +elapsed time for k point: 0.04509758949279785 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47144,7 +47167,7 @@ iteration 12: trace = 4.287889499871681 (9.82656e-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: 0.12717032432556152 +elapsed time for k point: 0.04153800010681152 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47177,7 +47200,7 @@ iteration 14: trace = 4.29990477093923 (1.59463e-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: 0.135941743850708 +elapsed time for k point: 0.04818558692932129 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47210,7 +47233,7 @@ iteration 14: trace = 4.319879224622897 (9.3837e-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: 0.13802456855773926 +elapsed time for k point: 0.04830217361450195 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47247,7 +47270,7 @@ iteration 16: trace = 4.3474822862955 (4.94399e-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: 0.15701866149902344 +elapsed time for k point: 0.054941415786743164 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47312,7 +47335,7 @@ iteration 28: trace = 4.381215657475532 (1.29946e-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: 0.27755141258239746 +elapsed time for k point: 0.09445047378540039 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47347,7 +47370,7 @@ iteration 15: trace = 4.322737319376866 (1.86358e-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: 0.1696155071258545 +elapsed time for k point: 0.05135178565979004 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47378,7 +47401,7 @@ iteration 13: trace = 4.300851491405948 (6.13341e-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: 0.15983343124389648 +elapsed time for k point: 0.04494667053222656 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47409,7 +47432,7 @@ iteration 13: trace = 4.317112896788793 (5.01786e-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: 0.13463163375854492 +elapsed time for k point: 0.04487872123718262 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47446,7 +47469,7 @@ iteration 16: trace = 4.358297516212385 (8.24739e-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: 0.14824318885803223 +elapsed time for k point: 0.054676055908203125 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -47647,7 +47670,7 @@ iteration 93: trace = 4.384870359106214 (1.5455e-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: 0.3722226619720459 +elapsed time for k point: 0.2535223960876465 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354986 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: 0.5751709345431465 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261712 at Vector3<0.0, 0.0, 0.0> @@ -47660,7 +47683,7 @@ Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431465), 28.919416524522983% Gap from band 5 (0.7793792212092521) to band 6 (0.78527869844185), 0.7540916335135398% Gap from band 7 (0.9122560439014186) to band 8 (1.0540350508135126), 14.420958045649781% -total elapsed time for run: 2.8549163341522217 +total elapsed time for run: 1.1677830219268799 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -47704,7 +47727,7 @@ 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: 0.0017375946044921875 +elapsed time for initialization: 0.0015120506286621094 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... @@ -47906,7 +47929,7 @@ iteration 91: trace = 6.466405545431611 (3.66457e-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: 0.5459990501403809 +elapsed time for k point: 0.24923992156982422 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -48011,7 +48034,7 @@ iteration 50: trace = 6.367909049127841 (9.15947e-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: 0.47177863121032715 +elapsed time for k point: 0.16687846183776855 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -48068,7 +48091,7 @@ iteration 26: trace = 6.307408527722558 (7.92367e-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: 0.2749674320220947 +elapsed time for k point: 0.08778595924377441 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48125,7 +48148,7 @@ iteration 26: trace = 6.281971560075127 (8.23994e-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: 0.26652979850769043 +elapsed time for k point: 0.08748269081115723 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48192,7 +48215,7 @@ iteration 31: trace = 6.28267176611981 (5.94035e-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: 0.3282032012939453 +elapsed time for k point: 0.1036994457244873 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48275,7 +48298,7 @@ iteration 39: trace = 6.294405703268606 (7.7439e-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: 0.3016989231109619 +elapsed time for k point: 0.12999892234802246 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48340,7 +48363,7 @@ iteration 30: trace = 6.296467689265775 (7.747e-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: 0.20903706550598145 +elapsed time for k point: 0.10050010681152344 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48411,7 +48434,7 @@ iteration 33: trace = 6.301845550822882 (4.11966e-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: 0.24123024940490723 +elapsed time for k point: 0.10993194580078125 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48484,7 +48507,7 @@ iteration 34: trace = 6.309184046353368 (7.88202e-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: 0.15059661865234375 +elapsed time for k point: 0.11336994171142578 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48559,7 +48582,7 @@ iteration 35: trace = 6.318322876593966 (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: 0.23295950889587402 +elapsed time for k point: 0.11664652824401855 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48716,7 +48739,7 @@ iteration 72: trace = 6.329316110445914 (8.92484e-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: 0.5279068946838379 +elapsed time for k point: 0.23833894729614258 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48927,7 +48950,7 @@ iteration 101: trace = 6.298594861654125 (6.19607e-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: 0.726243257522583 +elapsed time for k point: 0.3316366672515869 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48982,7 +49005,7 @@ iteration 25: trace = 6.282608553113039 (8.71269e-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: 0.10590863227844238 +elapsed time for k point: 0.08426570892333984 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -49035,7 +49058,7 @@ iteration 24: trace = 6.296830790289759 (6.42208e-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: 0.09683394432067871 +elapsed time for k point: 0.08128929138183594 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -49092,7 +49115,7 @@ iteration 26: trace = 6.356049883130346 (5.76557e-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: 0.12493348121643066 +elapsed time for k point: 0.08767986297607422 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -49241,7 +49264,7 @@ iteration 67: trace = 6.466405545351025 (9.27131e-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: 0.4476010799407959 +.elapsed time for k point: 0.18207359313964844 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840947 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454924 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513126 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618369 at Vector3<0.0, 0.0, 0.0> @@ -49253,11 +49276,11 @@ Gap from band 3 (0.7880878930618369) to band 4 (0.8161730293674935), 3.501317761094284% Gap from band 5 (0.922084942589803) to band 6 (1.0168656683915518), 9.776497169649693% Gap from band 7 (1.159370227370717) to band 8 (1.1636719050364357), 0.37034865667815786% -total elapsed time for run: 5.063503980636597 +total elapsed time for run: 2.2735908031463623 done -/tmp/meepakjAzV/test_honey_rods-0: 7.92s +/tmp/meepnxUejc/test_honey_rods-0: 3.44s -/tmp/meepakjAzV/test_line_defect-0 +/tmp/meepnxUejc/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance @@ -49304,7 +49327,7 @@ 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: 0.01992034912109375 +elapsed time for initialization: 0.012078285217285156 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... @@ -49501,7 +49524,7 @@ 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: 4.255338668823242 +elapsed time for k point: 2.0972297191619873 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 @@ -49514,18 +49537,18 @@ 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/meepakjAzV/test_line_defect-0-e.k01.b01.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b02.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b03.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b04.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b05.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b06.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b07.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b08.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b09.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b10.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b11.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b12.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k01.b01.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k01.b02.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k01.b03.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k01.b04.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k01.b05.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k01.b06.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k01.b07.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k01.b08.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k01.b09.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k01.b10.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k01.b11.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/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. @@ -49623,7 +49646,7 @@ 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: 2.864046096801758 +elapsed time for k point: 1.5235943794250488 Fixing e-field (band 1) phase by -1 + 2.71695e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.066234 + 0.997804i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08291e-07i; max ampl. = 0.357513 @@ -49636,18 +49659,18 @@ Fixing e-field (band 10) phase by 1 + 8.06478e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03316e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314817 + -1i; max ampl. = 0.377816 -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b01.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b02.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b03.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b04.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b05.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b06.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b07.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b08.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b09.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b10.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b11.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b12.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k02.b01.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k02.b02.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k02.b03.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k02.b04.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k02.b05.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k02.b06.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k02.b07.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k02.b08.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k02.b09.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k02.b10.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k02.b11.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/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. @@ -49737,7 +49760,7 @@ 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: 1.9849910736083984 +elapsed time for k point: 1.3922858238220215 Fixing e-field (band 1) phase by 1 + -6.69684e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 1.41132e-11 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.03294e-14i; max ampl. = 0.3761 @@ -49750,18 +49773,18 @@ Fixing e-field (band 10) phase by -1 + 3.83354e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.75025e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.939e-06 + -1i; max ampl. = 0.473136 -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b01.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b02.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b03.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b04.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b05.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b06.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b07.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b08.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b09.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b10.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b11.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b12.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k03.b01.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k03.b02.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k03.b03.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k03.b04.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k03.b05.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k03.b06.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k03.b07.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k03.b08.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k03.b09.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k03.b10.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k03.b11.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/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. @@ -49983,7 +50006,7 @@ 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: 5.059925556182861 +elapsed time for k point: 3.631432056427002 Fixing e-field (band 1) phase by 1 + -8.43945e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -7.36728e-12 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -1.0166e-15i; max ampl. = 0.420136 @@ -49996,18 +50019,18 @@ Fixing e-field (band 10) phase by 1 + -2.47558e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -9.51712e-12 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -7.63476e-11i; max ampl. = 0.423458 -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b01.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b02.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b03.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b04.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b05.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b06.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b07.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b08.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b09.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b10.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b11.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b12.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k04.b01.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k04.b02.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k04.b03.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k04.b04.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k04.b05.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k04.b06.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k04.b07.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k04.b08.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k04.b09.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k04.b10.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k04.b11.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/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 6 iterations. @@ -50169,7 +50192,7 @@ 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: 3.4758894443511963 +elapsed time for k point: 2.81575083732605 Fixing e-field (band 1) phase by 1 + -1.73164e-16i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -3.3667e-12 + -1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by 1 + 2.01153e-15i; max ampl. = 0.464954 @@ -50182,18 +50205,18 @@ Fixing e-field (band 10) phase by 1.98569e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + -3.00146e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by 1.05977e-13 + -1i; max ampl. = 0.443866 -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b01.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b02.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b03.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b04.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b05.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b06.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b07.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b08.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b09.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b10.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b11.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b12.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k05.b01.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k05.b02.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k05.b03.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k05.b04.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k05.b05.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k05.b06.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k05.b07.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k05.b08.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k05.b09.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k05.b10.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k05.b11.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/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. @@ -50249,7 +50272,7 @@ 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: 1.4722087383270264 +elapsed time for k point: 0.8433849811553955 Fixing e-field (band 1) phase by 1 + -2.00047e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.32784e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by 1 + -1.40064e-17i; max ampl. = 0.462198 @@ -50262,18 +50285,18 @@ Fixing e-field (band 10) phase by -5.29416e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + -1.64417e-14i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 3.04706e-13 + 1i; max ampl. = 0.465525 -..Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b01.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b02.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b03.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b04.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b05.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b06.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b07.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b08.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b09.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b10.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b11.z.tm.h5... -Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b12.z.tm.h5... +..Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k06.b01.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k06.b02.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k06.b03.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k06.b04.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k06.b05.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k06.b06.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k06.b07.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k06.b08.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k06.b09.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k06.b10.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k06.b11.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2563501053544447 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542215 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278226 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616924004 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> @@ -50288,15 +50311,15 @@ Band 12 range: 0.4656904639721246 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661458 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.33733710311255866), 21.8745126527225% Gap from band 7 (0.442497664916943) to band 8 (0.4482627765538221), 1.2944247113983016% -total elapsed time for run: 19.514795541763306 +total elapsed time for run: 12.529340744018555 done -/tmp/meepakjAzV/test_line_defect-0: 19.55s +/tmp/meepnxUejc/test_line_defect-0: 12.54s -/tmp/meepakjAzV/test_list_split-0 +/tmp/meepnxUejc/test_list_split-0 ======================== -/tmp/meepakjAzV/test_list_split-0: 0.00s +/tmp/meepnxUejc/test_list_split-0: 0.00s -/tmp/meepakjAzV/test_load_and_save_eigenvectors-0 +/tmp/meepnxUejc/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -50339,7 +50362,7 @@ 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: 0.0013709068298339844 +elapsed time for initialization: 0.0014171600341796875 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... @@ -50450,7 +50473,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.2934427261352539 +elapsed time for k point: 0.14544367790222168 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50701,7 +50724,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.5534358024597168 +elapsed time for k point: 0.40641307830810547 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50758,7 +50781,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.10073280334472656 +elapsed time for k point: 0.08924245834350586 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50811,7 +50834,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.09197497367858887 +elapsed time for k point: 0.08253073692321777 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50872,7 +50895,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.10052132606506348 +elapsed time for k point: 0.09586071968078613 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50965,7 +50988,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.15682506561279297 +elapsed time for k point: 0.14839935302734375 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -51036,7 +51059,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.11733579635620117 +elapsed time for k point: 0.11316275596618652 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51097,7 +51120,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.10045480728149414 +elapsed time for k point: 0.09623932838439941 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51150,7 +51173,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.08785533905029297 +elapsed time for k point: 0.08267354965209961 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51202,7 +51225,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.08344507217407227 +elapsed time for k point: 0.07895421981811523 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51254,7 +51277,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.08255481719970703 +elapsed time for k point: 0.07871794700622559 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51295,7 +51318,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.06533193588256836 +elapsed time for k point: 0.06239461898803711 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51342,7 +51365,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.07638382911682129 +elapsed time for k point: 0.07243132591247559 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51405,7 +51428,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.10606193542480469 +elapsed time for k point: 0.09900760650634766 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51478,7 +51501,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.12253308296203613 +elapsed time for k point: 0.11594104766845703 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -51673,7 +51696,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.2779543399810791 +elapsed time for k point: 0.25739192962646484 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -51685,7 +51708,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.4194469451904297 +total elapsed time for run: 2.0275094509124756 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -51727,7 +51750,7 @@ 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: 0.001718282699584961 +elapsed time for initialization: 0.0014095306396484375 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... @@ -51838,7 +51861,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.15366744995117188 +elapsed time for k point: 0.14479327201843262 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -52089,7 +52112,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.43129968643188477 +elapsed time for k point: 0.40428590774536133 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52146,7 +52169,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.10681629180908203 +elapsed time for k point: 0.08873820304870605 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52199,7 +52222,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.08670926094055176 +elapsed time for k point: 0.0819706916809082 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52260,7 +52283,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.10297322273254395 +elapsed time for k point: 0.09498071670532227 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52353,7 +52376,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.16167283058166504 +elapsed time for k point: 0.14752483367919922 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -52424,7 +52447,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.12159109115600586 +elapsed time for k point: 0.11185479164123535 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52485,7 +52508,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.13662338256835938 +elapsed time for k point: 0.09521484375 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52538,7 +52561,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.09718990325927734 +elapsed time for k point: 0.08195877075195312 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52590,7 +52613,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.08414936065673828 +elapsed time for k point: 0.07844710350036621 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52642,7 +52665,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.08491683006286621 +elapsed time for k point: 0.07825326919555664 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52683,7 +52706,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.06892776489257812 +elapsed time for k point: 0.061943769454956055 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52730,7 +52753,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.07662010192871094 +elapsed time for k point: 0.07190656661987305 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52793,7 +52816,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.1090242862701416 +elapsed time for k point: 0.09830284118652344 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52866,7 +52889,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.12796401977539062 +elapsed time for k point: 0.11486148834228516 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -53061,7 +53084,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.28257226943969727 +.elapsed time for k point: 0.2547929286956787 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -53073,11 +53096,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.23649263381958 +total elapsed time for run: 2.012495994567871 done -/tmp/meepakjAzV/test_load_and_save_eigenvectors-0: 4.66s +/tmp/meepnxUejc/test_load_and_save_eigenvectors-0: 4.04s -/tmp/meepakjAzV/test_maximize_first_tm_gap-0 +/tmp/meepnxUejc/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53120,7 +53143,7 @@ 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: 0.0009396076202392578 +elapsed time for initialization: 0.0009603500366210938 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... @@ -53159,7 +53182,7 @@ iteration 16: trace = 0.2090835261705098 (4.53204e-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: 0.0058002471923828125 +elapsed time for k point: 0.0043070316314697266 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -53226,7 +53249,7 @@ iteration 30: trace = 0.201404650159914 (1.74605e-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: 0.019493818283081055 +elapsed time for k point: 0.018069744110107422 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53249,7 +53272,7 @@ iteration 9: trace = 0.1879007300173185 (4.32802e-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: 0.0057642459869384766 +elapsed time for k point: 0.005740165710449219 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53272,7 +53295,7 @@ iteration 9: trace = 0.1768571842568802 (3.84498e-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: 0.005708456039428711 +elapsed time for k point: 0.005751132965087891 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53293,7 +53316,7 @@ iteration 8: trace = 0.1701630436771221 (4.11041e-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: 0.0061283111572265625 +elapsed time for k point: 0.005164384841918945 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53314,7 +53337,7 @@ iteration 8: trace = 0.167954201774869 (3.77281e-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: 0.005165576934814453 +elapsed time for k point: 0.0051538944244384766 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. @@ -53335,7 +53358,7 @@ iteration 8: trace = 0.1727422479677606 (9.39956e-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: 0.005198240280151367 +elapsed time for k point: 0.005139589309692383 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53356,7 +53379,7 @@ iteration 8: trace = 0.1859937688378515 (2.15337e-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: 0.006644725799560547 +elapsed time for k point: 0.005162239074707031 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53377,7 +53400,7 @@ iteration 8: trace = 0.2041420413289723 (7.57989e-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: 0.005196094512939453 +elapsed time for k point: 0.005136966705322266 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53400,7 +53423,7 @@ iteration 9: trace = 0.2207583578967242 (6.03496e-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: 0.005755186080932617 +elapsed time for k point: 0.00572514533996582 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53423,7 +53446,7 @@ iteration 9: trace = 0.2277122843842428 (1.05556e-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: 0.0075969696044921875 +elapsed time for k point: 0.0057256221771240234 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53465,7 +53488,7 @@ iteration 17: trace = 0.2194624955004418 (3.56141e-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: 0.01045083999633789 +elapsed time for k point: 0.010364770889282227 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53488,7 +53511,7 @@ iteration 9: trace = 0.2042021396245495 (5.31455e-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: 0.0057604312896728516 +elapsed time for k point: 0.0057299137115478516 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53511,7 +53534,7 @@ iteration 9: trace = 0.1959313854307188 (4.00897e-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: 0.005923748016357422 +elapsed time for k point: 0.005722999572753906 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -53536,7 +53559,7 @@ iteration 10: trace = 0.2007748484301817 (1.08105e-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: 0.0063855648040771484 +elapsed time for k point: 0.00629734992980957 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. @@ -53565,11 +53588,11 @@ iteration 12: trace = 0.2090835122571488 (3.45147e-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: 0.00427699089050293 +elapsed time for k point: 0.0031964778900146484 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992222 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.35120083530511803 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897039 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992222) to band 2 (0.35120083530511803), 34.044042557162825% -total elapsed time for run: 0.11311125755310059 +total elapsed time for run: 0.10403203964233398 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53611,7 +53634,7 @@ 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: 0.0012354850769042969 +elapsed time for initialization: 0.001233816146850586 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... @@ -53652,7 +53675,7 @@ iteration 17: trace = 0.1326529296620271 (9.95329e-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: 0.012668848037719727 +elapsed time for k point: 0.004505157470703125 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -53712,7 +53735,7 @@ iteration 27: trace = 0.1274079622121569 (4.56827e-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: 0.03466963768005371 +elapsed time for k point: 0.01626420021057129 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53735,7 +53758,7 @@ iteration 9: trace = 0.1169623869301465 (5.37255e-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: 0.021570205688476562 +elapsed time for k point: 0.005735158920288086 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53758,7 +53781,7 @@ iteration 9: trace = 0.1074794489925547 (2.87938e-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: 0.010654926300048828 +elapsed time for k point: 0.005736351013183594 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53779,7 +53802,7 @@ iteration 8: trace = 0.1013401281478577 (3.10586e-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: 0.017781496047973633 +elapsed time for k point: 0.0051538944244384766 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53800,7 +53823,7 @@ iteration 8: trace = 0.09924540234965068 (1.0907e-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: 0.0051898956298828125 +elapsed time for k point: 0.005136251449584961 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53821,7 +53844,7 @@ iteration 8: trace = 0.1023441112106414 (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: 0.005193948745727539 +elapsed time for k point: 0.00516057014465332 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53842,7 +53865,7 @@ iteration 8: trace = 0.1111004875044771 (9.06861e-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: 0.006150484085083008 +elapsed time for k point: 0.005172014236450195 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53863,7 +53886,7 @@ iteration 8: trace = 0.1236552584709829 (3.20752e-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: 0.0051915645599365234 +elapsed time for k point: 0.005154848098754883 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -53886,7 +53909,7 @@ iteration 9: trace = 0.1360211172747791 (1.03659e-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: 0.005923271179199219 +elapsed time for k point: 0.005724191665649414 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53909,7 +53932,7 @@ iteration 9: trace = 0.1415827248187514 (3.31108e-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: 0.006755828857421875 +elapsed time for k point: 0.005757808685302734 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53959,7 +53982,7 @@ iteration 21: trace = 0.1366069801387 (1.8347e-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: 0.01328134536743164 +elapsed time for k point: 0.012736797332763672 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53982,7 +54005,7 @@ iteration 9: trace = 0.1283044775563505 (4.18591e-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: 0.0057599544525146484 +elapsed time for k point: 0.005745887756347656 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54005,7 +54028,7 @@ iteration 9: trace = 0.125065286647159 (9.16566e-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: 0.005750894546508789 +elapsed time for k point: 0.0057604312896728516 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54028,7 +54051,7 @@ iteration 9: trace = 0.1287431504622696 (9.99901e-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: 0.0067043304443359375 +elapsed time for k point: 0.005802631378173828 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. @@ -54059,11 +54082,11 @@ iteration 13: trace = 0.1326529452608119 (4.36045e-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: 0.003431081771850586 +elapsed time for k point: 0.0034575462341308594 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2186225691051753 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474916 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458684 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2186225691051753) to band 2 (0.25999614437474916), 17.288741164655384% -total elapsed time for run: 0.16887402534484863 +total elapsed time for run: 0.10494327545166016 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -54105,7 +54128,7 @@ 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: 0.0009031295776367188 +elapsed time for initialization: 0.0008649826049804688 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... @@ -54152,7 +54175,7 @@ iteration 20: trace = 0.2982519551490034 (5.17418e-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: 0.0052525997161865234 +elapsed time for k point: 0.005260467529296875 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54189,7 +54212,7 @@ iteration 16: trace = 0.2795911378478668 (6.13898e-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: 0.011355400085449219 +elapsed time for k point: 0.009853124618530273 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54214,7 +54237,7 @@ iteration 10: trace = 0.2611842409470008 (6.08704e-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: 0.00633692741394043 +elapsed time for k point: 0.0063016414642333984 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54237,7 +54260,7 @@ iteration 9: trace = 0.2490993774400128 (1.37943e-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: 0.0066699981689453125 +elapsed time for k point: 0.005762815475463867 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54258,7 +54281,7 @@ iteration 8: trace = 0.242445714489984 (6.61589e-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: 0.006879329681396484 +elapsed time for k point: 0.005129098892211914 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54279,7 +54302,7 @@ iteration 8: trace = 0.2403442724329466 (2.88129e-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: 0.005158662796020508 +elapsed time for k point: 0.005141258239746094 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54300,7 +54323,7 @@ iteration 8: trace = 0.2478135698278218 (2.76645e-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: 0.005191326141357422 +elapsed time for k point: 0.005162239074707031 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54321,7 +54344,7 @@ iteration 8: trace = 0.2687921840070467 (1.52412e-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: 0.005442142486572266 +elapsed time for k point: 0.0051670074462890625 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54342,7 +54365,7 @@ iteration 8: trace = 0.2984106619036122 (7.56926e-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: 0.005247831344604492 +elapsed time for k point: 0.005144834518432617 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54365,7 +54388,7 @@ iteration 9: trace = 0.3267691033102509 (4.51878e-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: 0.006613254547119141 +elapsed time for k point: 0.005736351013183594 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54388,7 +54411,7 @@ iteration 9: trace = 0.3391341088633691 (2.85958e-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: 0.006532907485961914 +elapsed time for k point: 0.005747318267822266 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54427,7 +54450,7 @@ iteration 17: trace = 0.3215197827688706 (6.92336e-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: 0.010879278182983398 +elapsed time for k point: 0.010354280471801758 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54450,7 +54473,7 @@ iteration 9: trace = 0.2901214013723648 (2.07219e-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: 0.006226062774658203 +elapsed time for k point: 0.005718708038330078 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54475,7 +54498,7 @@ iteration 10: trace = 0.2708607258851711 (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: 0.006304740905761719 +elapsed time for k point: 0.006303548812866211 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -54502,7 +54525,7 @@ iteration 11: trace = 0.2750943676881146 (3.63221e-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: 0.0068738460540771484 +elapsed time for k point: 0.006871461868286133 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. @@ -54539,11 +54562,11 @@ iteration 16: trace = 0.2982519551492224 (9.14974e-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: 0.004292964935302734 +elapsed time for k point: 0.004233837127685547 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856945 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943924 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610293 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856945) to band 2 (0.42411505161943924), 39.1000855456212% -total elapsed time for run: 0.10707902908325195 +total elapsed time for run: 0.09944438934326172 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -54585,7 +54608,7 @@ 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: 0.0011279582977294922 +elapsed time for initialization: 0.0009150505065917969 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... @@ -54620,7 +54643,7 @@ iteration 14: trace = 0.3025956959406486 (2.03262e-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: 0.004338741302490234 +elapsed time for k point: 0.003775358200073242 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54645,7 +54668,7 @@ iteration 10: trace = 0.3009297177018309 (7.18493e-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: 0.006400108337402344 +elapsed time for k point: 0.0063745975494384766 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54670,7 +54693,7 @@ iteration 10: trace = 0.2969598361818409 (3.30121e-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: 0.008151769638061523 +elapsed time for k point: 0.0063054561614990234 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54695,7 +54718,7 @@ iteration 10: trace = 0.2926449175807007 (3.41438e-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: 0.0063817501068115234 +elapsed time for k point: 0.00635981559753418 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54718,7 +54741,7 @@ iteration 9: trace = 0.2895143959121311 (5.67547e-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: 0.0075511932373046875 +elapsed time for k point: 0.005742788314819336 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54739,7 +54762,7 @@ iteration 8: trace = 0.2883886767737718 (2.70252e-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: 0.00583338737487793 +elapsed time for k point: 0.005143404006958008 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54760,7 +54783,7 @@ iteration 8: trace = 0.2982086196943483 (6.44075e-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: 0.0056650638580322266 +elapsed time for k point: 0.005158424377441406 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54781,7 +54804,7 @@ iteration 8: trace = 0.3264979228223415 (2.75092e-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: 0.005200386047363281 +elapsed time for k point: 0.005131959915161133 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54802,7 +54825,7 @@ iteration 8: trace = 0.3690664173180317 (8.32066e-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: 0.005167722702026367 +elapsed time for k point: 0.005155086517333984 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54827,7 +54850,7 @@ iteration 10: trace = 0.4155447999210046 (6.19841e-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: 0.006329774856567383 +elapsed time for k point: 0.006296634674072266 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54852,7 +54875,7 @@ iteration 10: trace = 0.4398182199057518 (3.14904e-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: 0.007338523864746094 +elapsed time for k point: 0.006299257278442383 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54891,7 +54914,7 @@ iteration 17: trace = 0.4024754384446911 (9.03404e-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: 0.010393381118774414 +elapsed time for k point: 0.010355949401855469 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54914,7 +54937,7 @@ iteration 9: trace = 0.3476919187043958 (5.95198e-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: 0.007133007049560547 +elapsed time for k point: 0.005728006362915039 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54939,7 +54962,7 @@ iteration 10: trace = 0.312470185923318 (7.10611e-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: 0.008109092712402344 +elapsed time for k point: 0.006300687789916992 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54964,7 +54987,7 @@ iteration 10: trace = 0.3014386377955977 (5.15631e-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: 0.008638381958007812 +elapsed time for k point: 0.0063321590423583984 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. @@ -54993,15 +55016,15 @@ iteration 12: trace = 0.3025956959406537 (2.06198e-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: 0.0032427310943603516 +.elapsed time for k point: 0.003209829330444336 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232155 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4615121898996919 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819286 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232155) to band 2 (0.4615121898996919), 36.990024869608185% -total elapsed time for run: 0.10793352127075195 +total elapsed time for run: 0.09526419639587402 done -/tmp/meepakjAzV/test_maximize_first_tm_gap-0: 0.50s +/tmp/meepnxUejc/test_maximize_first_tm_gap-0: 0.40s -/tmp/meepakjAzV/test_multiply_bloch_in_mpb_data-0 +/tmp/meepnxUejc/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -55044,7 +55067,7 @@ 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: 0.0016760826110839844 +elapsed time for initialization: 0.0013308525085449219 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... @@ -55155,7 +55178,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.15678071975708008 +elapsed time for k point: 0.1436753273010254 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55406,7 +55429,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.4390370845794678 +elapsed time for k point: 0.4034082889556885 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55463,7 +55486,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.09592604637145996 +elapsed time for k point: 0.08891582489013672 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55516,7 +55539,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.0887303352355957 +elapsed time for k point: 0.08146405220031738 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55577,7 +55600,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.10894131660461426 +elapsed time for k point: 0.09490823745727539 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55670,7 +55693,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.16124200820922852 +elapsed time for k point: 0.14801955223083496 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55741,7 +55764,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.13531136512756348 +elapsed time for k point: 0.11111807823181152 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55802,7 +55825,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.10325431823730469 +elapsed time for k point: 0.09521222114562988 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55855,7 +55878,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.13158011436462402 +elapsed time for k point: 0.08182096481323242 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55907,7 +55930,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.1615138053894043 +elapsed time for k point: 0.07821345329284668 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55959,7 +55982,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.16192102432250977 +elapsed time for k point: 0.07783246040344238 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56000,7 +56023,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.12051844596862793 +elapsed time for k point: 0.062067508697509766 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56047,7 +56070,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.11039280891418457 +elapsed time for k point: 0.07166266441345215 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56110,7 +56133,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.10386252403259277 +elapsed time for k point: 0.09828329086303711 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56183,7 +56206,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.141021728515625 +elapsed time for k point: 0.11485075950622559 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -56378,7 +56401,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.28420066833496094 +elapsed time for k point: 0.25522494316101074 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -56390,7 +56413,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.5072386264801025 +total elapsed time for run: 2.009284734725952 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -56439,7 +56462,7 @@ 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: 0.0014750957489013672 +elapsed time for initialization: 0.0014317035675048828 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... @@ -56550,7 +56573,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.15869450569152832 +elapsed time for k point: 0.1444714069366455 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56801,7 +56824,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.5338327884674072 +elapsed time for k point: 0.4041571617126465 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56858,7 +56881,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.10018205642700195 +elapsed time for k point: 0.08964347839355469 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56911,7 +56934,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.08816862106323242 +elapsed time for k point: 0.08211684226989746 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56972,7 +56995,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.10408663749694824 +elapsed time for k point: 0.09428191184997559 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57065,7 +57088,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.1698756217956543 +elapsed time for k point: 0.145582914352417 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -57136,7 +57159,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.13564038276672363 +elapsed time for k point: 0.11080670356750488 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57197,7 +57220,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.11461973190307617 +elapsed time for k point: 0.09502387046813965 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57250,7 +57273,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.0864255428314209 +elapsed time for k point: 0.08210873603820801 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57302,7 +57325,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.10060262680053711 +elapsed time for k point: 0.07915043830871582 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57354,7 +57377,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.09380340576171875 +elapsed time for k point: 0.07859039306640625 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57395,7 +57418,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.07503294944763184 +elapsed time for k point: 0.06196737289428711 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57442,7 +57465,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.07864713668823242 +elapsed time for k point: 0.0719454288482666 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57505,7 +57528,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.09995889663696289 +elapsed time for k point: 0.0984959602355957 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57578,7 +57601,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.11847591400146484 +elapsed time for k point: 0.11465620994567871 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -57773,7 +57796,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.2747676372528076 +elapsed time for k point: 0.25452685356140137 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -57785,7 +57808,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.3355422019958496 +total elapsed time for run: 2.010230779647827 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -57794,9 +57817,9 @@ imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 -./tmp/meepakjAzV/test_multiply_bloch_in_mpb_data-0: 4.90s +./tmp/meepnxUejc/test_multiply_bloch_in_mpb_data-0: 4.07s -/tmp/meepakjAzV/test_multiply_bloch_phase-0 +/tmp/meepnxUejc/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -57839,7 +57862,7 @@ 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: 0.0013842582702636719 +elapsed time for initialization: 0.0013692378997802734 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... @@ -57950,7 +57973,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.161268949508667 +elapsed time for k point: 0.1441349983215332 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58201,7 +58224,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.5465784072875977 +elapsed time for k point: 0.40371274948120117 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58258,7 +58281,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.18862295150756836 +elapsed time for k point: 0.08887696266174316 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58311,7 +58334,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.1208045482635498 +elapsed time for k point: 0.08198046684265137 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58372,7 +58395,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.09590959548950195 +elapsed time for k point: 0.09514665603637695 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58465,7 +58488,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.15962862968444824 +elapsed time for k point: 0.14717817306518555 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58536,7 +58559,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.1692509651184082 +elapsed time for k point: 0.11184024810791016 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58597,7 +58620,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.10674262046813965 +elapsed time for k point: 0.09566760063171387 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58650,7 +58673,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.08623790740966797 +elapsed time for k point: 0.08185195922851562 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58702,7 +58725,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.10750174522399902 +elapsed time for k point: 0.07832646369934082 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58754,7 +58777,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.19913554191589355 +elapsed time for k point: 0.07839775085449219 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58795,7 +58818,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.12779736518859863 +elapsed time for k point: 0.06185317039489746 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58842,7 +58865,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.15423178672790527 +elapsed time for k point: 0.07177519798278809 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58905,7 +58928,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.1878671646118164 +elapsed time for k point: 0.09840965270996094 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58978,7 +59001,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.11913371086120605 +elapsed time for k point: 0.11417937278747559 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -59173,7 +59196,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.39928507804870605 +elapsed time for k point: 0.25388264656066895 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -59185,12 +59208,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.932659387588501 +total elapsed time for run: 2.0098416805267334 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 -./tmp/meepakjAzV/test_multiply_bloch_phase-0: 2.94s +./tmp/meepnxUejc/test_multiply_bloch_phase-0: 2.01s -/tmp/meepakjAzV/test_output_charge_density-0 +/tmp/meepnxUejc/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -59233,7 +59256,7 @@ 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: 0.01066899299621582 +elapsed time for initialization: 0.001386404037475586 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... @@ -59344,7 +59367,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.33223748207092285 +elapsed time for k point: 0.14322686195373535 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59595,7 +59618,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.5808093547821045 +elapsed time for k point: 0.4031491279602051 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59652,7 +59675,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.10026383399963379 +elapsed time for k point: 0.0887758731842041 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59705,7 +59728,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.09238553047180176 +elapsed time for k point: 0.08162593841552734 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59766,7 +59789,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.11069750785827637 +elapsed time for k point: 0.09449505805969238 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59859,7 +59882,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.2784852981567383 +elapsed time for k point: 0.14720797538757324 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59930,7 +59953,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.23294353485107422 +elapsed time for k point: 0.11116552352905273 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59991,7 +60014,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.1997973918914795 +elapsed time for k point: 0.0948646068572998 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60044,7 +60067,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.15747714042663574 +elapsed time for k point: 0.08127450942993164 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60096,7 +60119,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.13623595237731934 +elapsed time for k point: 0.07780790328979492 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60148,7 +60171,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.12284612655639648 +elapsed time for k point: 0.07795119285583496 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60189,7 +60212,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.16578030586242676 +elapsed time for k point: 0.06132078170776367 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60236,7 +60259,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.23046064376831055 +elapsed time for k point: 0.07151985168457031 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60299,7 +60322,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.23346567153930664 +elapsed time for k point: 0.09761905670166016 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60372,7 +60395,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.2773587703704834 +elapsed time for k point: 0.11465239524841309 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -60567,7 +60590,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.6316630840301514 +elapsed time for k point: 0.25429654121398926 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -60579,13 +60602,13 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 3.8948915004730225 +total elapsed time for run: 2.0036470890045166 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 -.Outputting complex scalar field to /tmp/meepakjAzV/test_output_charge_density-0-C.k16.b08.te.h5... -/tmp/meepakjAzV/test_output_charge_density-0: 3.92s +.Outputting complex scalar field to /tmp/meepnxUejc/test_output_charge_density-0-C.k16.b08.te.h5... +/tmp/meepnxUejc/test_output_charge_density-0: 2.01s -/tmp/meepakjAzV/test_output_dpwr_in_objects-0 +/tmp/meepnxUejc/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -60628,7 +60651,7 @@ 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: 0.005441904067993164 +elapsed time for initialization: 0.0013709068298339844 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... @@ -60739,12 +60762,12 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.38147830963134766 +elapsed time for k point: 0.1444835662841797 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, 0.5527092320102546, 0.8567435000049365 -Outputting fields to /tmp/meepakjAzV/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... +Outputting fields to /tmp/meepnxUejc/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069426, 0.5288260557983413 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 @@ -61007,7 +61030,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.8189346790313721 +elapsed time for k point: 0.4009730815887451 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272505, 0.04603176933548133 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 @@ -61080,7 +61103,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.19571757316589355 +elapsed time for k point: 0.08817911148071289 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.17869200446402672, 0.05442207264059689 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 @@ -61149,7 +61172,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.19886112213134766 +elapsed time for k point: 0.08169317245483398 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.26579760671574704, 0.07189021129298956 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 @@ -61226,7 +61249,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.2359025478363037 +elapsed time for k point: 0.09415864944458008 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452583, 0.10384524472299073 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 @@ -61335,7 +61358,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.4078505039215088 +elapsed time for k point: 0.14668869972229004 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654536, 0.0860399668649528 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 @@ -61422,7 +61445,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.42994213104248047 +elapsed time for k point: 0.11171102523803711 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.4237414613237853, 0.08405292712306052 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 @@ -61499,7 +61522,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.3078148365020752 +elapsed time for k point: 0.09465217590332031 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.4547812725154716, 0.08020083733746218 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 @@ -61568,7 +61591,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.3180422782897949 +elapsed time for k point: 0.08165574073791504 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.47376659593612236, 0.5125827722134951 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 @@ -61636,7 +61659,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.31835126876831055 +elapsed time for k point: 0.07810306549072266 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371615308 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 @@ -61704,7 +61727,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.2966897487640381 +elapsed time for k point: 0.07772135734558105 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.4968358647448986, 0.6986360262353924 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 @@ -61761,7 +61784,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.19165301322937012 +elapsed time for k point: 0.06159710884094238 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434172, 0.41845731017621085 D-energy-components:, 12, 2, 0.5, 0.5, 0 @@ -61824,7 +61847,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.22613811492919922 +elapsed time for k point: 0.07156538963317871 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290166, 0.1223740833813474 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 @@ -61903,7 +61926,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.30950260162353516 +elapsed time for k point: 0.09769058227539062 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988460781 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 @@ -61992,7 +62015,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.3569753170013428 +elapsed time for k point: 0.11397552490234375 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469342, 0.047952797703298834 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 @@ -62203,12 +62226,12 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.8051924705505371 +elapsed time for k point: 0.2551841735839844 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, 0.5527092320101995, 0.8567434642230596 -Outputting fields to /tmp/meepakjAzV/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... +Outputting fields to /tmp/meepnxUejc/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069766, 0.528826082855366 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 @@ -62232,11 +62255,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 5.983274698257446 +total elapsed time for run: 2.052856683731079 done -/tmp/meepakjAzV/test_output_dpwr_in_objects-0: 5.98s +/tmp/meepnxUejc/test_output_dpwr_in_objects-0: 2.05s -/tmp/meepakjAzV/test_output_efield_z-0 +/tmp/meepnxUejc/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62279,7 +62302,7 @@ 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: 0.009509563446044922 +elapsed time for initialization: 0.0013327598571777344 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... @@ -62415,7 +62438,7 @@ iteration 61: trace = 4.373720851032822 (3.7751e-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: 0.663137674331665 +elapsed time for k point: 0.1684730052947998 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62466,7 +62489,7 @@ iteration 23: trace = 4.290857263081678 (9.17394e-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: 0.2859947681427002 +elapsed time for k point: 0.07844185829162598 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -62497,7 +62520,7 @@ iteration 13: trace = 4.208307958519128 (3.87494e-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: 0.13515067100524902 +elapsed time for k point: 0.045108795166015625 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62528,7 +62551,7 @@ iteration 13: trace = 4.150444015828805 (1.03574e-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: 0.1319127082824707 +elapsed time for k point: 0.04522299766540527 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62559,7 +62582,7 @@ iteration 13: trace = 4.119598598621693 (1.08446e-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: 0.13579940795898438 +elapsed time for k point: 0.04523777961730957 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62590,7 +62613,7 @@ iteration 13: trace = 4.110777242725122 (6.70437e-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: 0.13219499588012695 +elapsed time for k point: 0.04538869857788086 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62619,7 +62642,7 @@ iteration 12: trace = 4.0994899642748 (2.50237e-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: 0.12449216842651367 +elapsed time for k point: 0.04182720184326172 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62646,7 +62669,7 @@ iteration 11: trace = 4.079452895803481 (8.21893e-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: 0.07648968696594238 +elapsed time for k point: 0.03831338882446289 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62675,7 +62698,7 @@ iteration 12: trace = 4.068759276129136 (1.19842e-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: 0.04777932167053223 +elapsed time for k point: 0.041913509368896484 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62708,7 +62731,7 @@ iteration 14: trace = 4.075526949349669 (2.6108e-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: 0.05543065071105957 +elapsed time for k point: 0.04816460609436035 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62743,7 +62766,7 @@ iteration 15: trace = 4.092150433618236 (9.14191e-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: 0.06066608428955078 +elapsed time for k point: 0.051581621170043945 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62780,7 +62803,7 @@ iteration 16: trace = 4.046652183676483 (2.1312e-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: 0.10728883743286133 +elapsed time for k point: 0.055143117904663086 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62809,7 +62832,7 @@ iteration 12: trace = 4.044513236396847 (3.21935e-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: 0.08619880676269531 +elapsed time for k point: 0.041809797286987305 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62838,7 +62861,7 @@ iteration 12: trace = 4.11341525975549 (2.54357e-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: 0.07484269142150879 +elapsed time for k point: 0.04158520698547363 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62871,7 +62894,7 @@ iteration 14: trace = 4.240749642028246 (2.10067e-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: 0.06541562080383301 +elapsed time for k point: 0.048259735107421875 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -63003,7 +63026,7 @@ iteration 59: trace = 4.373720851594072 (8.81331e-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: 0.208543062210083 +elapsed time for k point: 0.1631615161895752 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> @@ -63014,13 +63037,13 @@ Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% -total elapsed time for run: 2.4021496772766113 +total elapsed time for run: 1.0022406578063965 done Fixing e-field (band 8) phase by 2.441e-08 + -1i; max ampl. = 1.49941 -FOutputting fields to /tmp/meepakjAzV/test_output_efield_z-0-e.k16.b08.z.tm.h5... -/tmp/meepakjAzV/test_output_efield_z-0: 2.42s +FOutputting fields to /tmp/meepnxUejc/test_output_efield_z-0-e.k16.b08.z.tm.h5... +/tmp/meepnxUejc/test_output_efield_z-0: 1.01s -/tmp/meepakjAzV/test_output_field_to_file-0 +/tmp/meepnxUejc/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -63063,7 +63086,7 @@ 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: 0.0013575553894042969 +elapsed time for initialization: 0.0013518333435058594 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... @@ -63174,7 +63197,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.4958164691925049 +elapsed time for k point: 0.14221811294555664 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63425,7 +63448,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.0172505378723145 +elapsed time for k point: 0.40015316009521484 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63482,7 +63505,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.1772148609161377 +elapsed time for k point: 0.08786392211914062 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63535,7 +63558,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.17701339721679688 +elapsed time for k point: 0.08079314231872559 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63596,7 +63619,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.15250825881958008 +elapsed time for k point: 0.09399032592773438 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63689,7 +63712,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.2535977363586426 +elapsed time for k point: 0.14590239524841309 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63760,7 +63783,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.1553325653076172 +elapsed time for k point: 0.11130714416503906 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63821,7 +63844,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.14978575706481934 +elapsed time for k point: 0.09531211853027344 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63874,7 +63897,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.11350488662719727 +elapsed time for k point: 0.08175778388977051 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63926,7 +63949,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.23045063018798828 +elapsed time for k point: 0.07804417610168457 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63978,7 +64001,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.21253514289855957 +elapsed time for k point: 0.07772064208984375 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64019,7 +64042,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.17666006088256836 +elapsed time for k point: 0.06098818778991699 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64066,7 +64089,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.22067713737487793 +elapsed time for k point: 0.07125091552734375 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64129,7 +64152,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.13866329193115234 +elapsed time for k point: 0.0971674919128418 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64202,7 +64225,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.15621161460876465 +elapsed time for k point: 0.11374306678771973 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -64397,7 +64420,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.5193660259246826 +elapsed time for k point: 0.25261425971984863 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -64409,13 +64432,13 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 4.3503642082214355 +total elapsed time for run: 1.9934477806091309 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepakjAzV/test_output_field_to_file-0-epsilon.h5... -/tmp/meepakjAzV/test_output_field_to_file-0: 4.39s +.Outputting /tmp/meepnxUejc/test_output_field_to_file-0-epsilon.h5... +/tmp/meepnxUejc/test_output_field_to_file-0: 2.00s -/tmp/meepakjAzV/test_output_tot_pwr-0 +/tmp/meepnxUejc/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -64458,7 +64481,7 @@ 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: 0.0016703605651855469 +elapsed time for initialization: 0.0013413429260253906 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... @@ -64569,7 +64592,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.23725199699401855 +elapsed time for k point: 0.1428391933441162 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64820,7 +64843,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.6677360534667969 +elapsed time for k point: 0.40385866165161133 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64877,7 +64900,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.17980527877807617 +elapsed time for k point: 0.08895206451416016 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64930,7 +64953,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.17125844955444336 +elapsed time for k point: 0.08222484588623047 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64991,7 +65014,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.28522300720214844 +elapsed time for k point: 0.0951242446899414 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65084,7 +65107,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.464932918548584 +elapsed time for k point: 0.14771127700805664 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -65155,7 +65178,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.3399956226348877 +elapsed time for k point: 0.11234021186828613 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65216,7 +65239,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.30315589904785156 +elapsed time for k point: 0.09478068351745605 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65269,7 +65292,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.24454927444458008 +elapsed time for k point: 0.0821375846862793 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65321,7 +65344,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.17806673049926758 +elapsed time for k point: 0.078338623046875 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65373,7 +65396,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.18140649795532227 +elapsed time for k point: 0.07785463333129883 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65414,7 +65437,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.14358901977539062 +elapsed time for k point: 0.06175661087036133 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65461,7 +65484,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.17462706565856934 +elapsed time for k point: 0.07195401191711426 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65524,7 +65547,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.19433975219726562 +elapsed time for k point: 0.09826326370239258 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65597,7 +65620,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.15232324600219727 +elapsed time for k point: 0.11497378349304199 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -65792,7 +65815,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.6177034378051758 +elapsed time for k point: 0.2536599636077881 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -65804,16 +65827,16 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 4.5471110343933105 +total elapsed time for run: 2.009389877319336 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 -Outputting /tmp/meepakjAzV/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... +Outputting /tmp/meepnxUejc/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/meepakjAzV/test_output_tot_pwr-0: 4.58s +./tmp/meepnxUejc/test_output_tot_pwr-0: 2.01s -/tmp/meepakjAzV/test_point_defect_state-0 +/tmp/meepnxUejc/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance @@ -65891,7 +65914,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.08693408966064453 +elapsed time for initialization: 0.029690265655517578 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... @@ -66730,11 +66753,11 @@ Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 80 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: 55.044424533843994 -total elapsed time for run: 55.13188099861145 +elapsed time for k point: 33.985878467559814 +total elapsed time for run: 34.016093015670776 done Fixing e-field (band 25) phase by -0.24413 + -0.969743i; max ampl. = 0.816569 -Outputting fields to /tmp/meepakjAzV/test_point_defect_state-0-e.k01.b25.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + 2.70339e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data @@ -66814,7 +66837,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.014621734619140625 +elapsed time for initialization: 0.006548166275024414 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67188,8 +67211,8 @@ iteration 159: trace = 0.0004139236165391716 (6.13014e-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: 0.794421911239624 -total elapsed time for run: 0.8091473579406738 +elapsed time for k point: 0.713360071182251 +total elapsed time for run: 0.7200088500976562 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67269,7 +67292,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006272554397583008 +elapsed time for initialization: 0.006247043609619141 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67643,8 +67666,8 @@ iteration 159: trace = 0.0004139236165391716 (6.13014e-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: 0.7567653656005859 -total elapsed time for run: 0.7631189823150635 +elapsed time for k point: 0.7152562141418457 +total elapsed time for run: 0.721590518951416 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67724,7 +67747,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006373167037963867 +elapsed time for initialization: 0.006441593170166016 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68169,8 +68192,8 @@ iteration 187: trace = 0.001795102514608244 (4.93546e-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: 0.9256808757781982 -total elapsed time for run: 0.9321348667144775 +elapsed time for k point: 0.8388783931732178 +total elapsed time for run: 0.8453981876373291 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68250,7 +68273,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.00645136833190918 +elapsed time for initialization: 0.006362199783325195 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68583,8 +68606,8 @@ iteration 144: trace = 0.0009724596426331552 (7.79286e-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: 0.7346746921539307 -total elapsed time for run: 0.7412078380584717 +elapsed time for k point: 0.649482011795044 +total elapsed time for run: 0.6559314727783203 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68664,7 +68687,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.011050224304199219 +elapsed time for initialization: 0.006397724151611328 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68965,8 +68988,8 @@ iteration 130: trace = 0.0004433872992476595 (9.26877e-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: 0.6314904689788818 -total elapsed time for run: 0.6426475048065186 +elapsed time for k point: 0.5923919677734375 +total elapsed time for run: 0.5988690853118896 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69046,7 +69069,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.008170366287231445 +elapsed time for initialization: 0.006363391876220703 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69381,8 +69404,8 @@ iteration 142: trace = 0.0007053630328314389 (5.34148e-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: 0.6915755271911621 -total elapsed time for run: 0.6998302936553955 +elapsed time for k point: 0.6431005001068115 +total elapsed time for run: 0.6495401859283447 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69462,7 +69485,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006394863128662109 +elapsed time for initialization: 0.0063588619232177734 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69787,8 +69810,8 @@ iteration 139: trace = 0.0005431761082614662 (6.45213e-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: 0.6539597511291504 -total elapsed time for run: 0.6604342460632324 +elapsed time for k point: 0.6299090385437012 +total elapsed time for run: 0.6363472938537598 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69868,7 +69891,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.007929086685180664 +elapsed time for initialization: 0.006380796432495117 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70192,8 +70215,8 @@ iteration 138: trace = 0.0006236677264374833 (9.3341e-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: 0.6709399223327637 -total elapsed time for run: 0.6789519786834717 +elapsed time for k point: 0.630068302154541 +total elapsed time for run: 0.6365330219268799 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70273,7 +70296,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006455183029174805 +elapsed time for initialization: 0.00642704963684082 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70597,8 +70620,8 @@ iteration 139: trace = 0.0005435712197209179 (7.00716e-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: 1.0968871116638184 -total elapsed time for run: 1.1034214496612549 +elapsed time for k point: 0.6397616863250732 +total elapsed time for run: 0.646273136138916 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70678,7 +70701,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.014537572860717773 +elapsed time for initialization: 0.006413698196411133 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70996,8 +71019,8 @@ iteration 136: trace = 0.00058342219538993 (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: 0.8540823459625244 -total elapsed time for run: 0.8687105178833008 +elapsed time for k point: 0.6299207210540771 +total elapsed time for run: 0.636418342590332 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71077,7 +71100,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006375789642333984 +elapsed time for initialization: 0.00638890266418457 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71401,8 +71424,8 @@ iteration 139: trace = 0.000543571492165385 (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: 0.7236950397491455 -total elapsed time for run: 0.7301487922668457 +elapsed time for k point: 0.646045446395874 +total elapsed time for run: 0.6525182723999023 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71482,7 +71505,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006890058517456055 +elapsed time for initialization: 0.006403684616088867 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71816,8 +71839,8 @@ iteration 145: trace = 0.0005634408794977984 (4.83408e-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: 0.7417373657226562 -total elapsed time for run: 0.748711109161377 +elapsed time for k point: 0.6769788265228271 +total elapsed time for run: 0.683464765548706 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71897,7 +71920,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0064089298248291016 +elapsed time for initialization: 0.006412506103515625 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72221,8 +72244,8 @@ iteration 139: trace = 0.0005435714922125603 (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: 0.7835383415222168 -total elapsed time for run: 0.790032148361206 +elapsed time for k point: 0.6436223983764648 +total elapsed time for run: 0.6501398086547852 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72302,7 +72325,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0064694881439208984 +elapsed time for initialization: 0.006601095199584961 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72625,8 +72648,8 @@ iteration 138: trace = 0.0005534916950358864 (8.96799e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 -elapsed time for k point: 0.9094583988189697 -total elapsed time for run: 0.9160170555114746 +elapsed time for k point: 0.6431167125701904 +total elapsed time for run: 0.6498053073883057 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72706,7 +72729,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006530284881591797 +elapsed time for initialization: 0.006432533264160156 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -73030,8 +73053,8 @@ iteration 139: trace = 0.0005435714922129098 (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: 0.6523158550262451 -total elapsed time for run: 0.6589362621307373 +elapsed time for k point: 0.6358201503753662 +total elapsed time for run: 0.6423354148864746 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -73111,7 +73134,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006419658660888672 +elapsed time for initialization: 0.006389617919921875 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -73435,12 +73458,12 @@ iteration 139: trace = 0.0005435714922129098 (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: 0.6500301361083984 -total elapsed time for run: 0.6565337181091309 +.elapsed time for k point: 0.6394839286804199 +total elapsed time for run: 0.6459550857543945 done -/tmp/meepakjAzV/test_point_defect_state-0: 67.55s +/tmp/meepnxUejc/test_point_defect_state-0: 44.70s -/tmp/meepakjAzV/test_poynting-0 +/tmp/meepnxUejc/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -73483,7 +73506,7 @@ 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: 0.0013644695281982422 +elapsed time for initialization: 0.0013680458068847656 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... @@ -73594,7 +73617,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.14481234550476074 +elapsed time for k point: 0.14520812034606934 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73845,7 +73868,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.41651391983032227 +elapsed time for k point: 0.4042186737060547 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73902,7 +73925,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.09048724174499512 +elapsed time for k point: 0.08889555931091309 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73955,7 +73978,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.08297204971313477 +elapsed time for k point: 0.08155059814453125 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74016,7 +74039,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.09758424758911133 +elapsed time for k point: 0.09550762176513672 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74109,7 +74132,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.15033221244812012 +elapsed time for k point: 0.14737391471862793 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -74180,7 +74203,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.1137552261352539 +elapsed time for k point: 0.11196351051330566 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74241,7 +74264,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.09792351722717285 +elapsed time for k point: 0.0947577953338623 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74294,7 +74317,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.08311033248901367 +elapsed time for k point: 0.08168792724609375 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74346,7 +74369,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.0788421630859375 +elapsed time for k point: 0.07920551300048828 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74400,15 +74423,15 @@ 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: 0.07829499244689941 -Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b01.te.h5... -Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b02.te.h5... -Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b03.te.h5... -Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b04.te.h5... -Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b05.te.h5... -Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b06.te.h5... -Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b07.te.h5... -Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b08.te.h5... +elapsed time for k point: 0.07809877395629883 +Outputting fields to /tmp/meepnxUejc/test_poynting-0-flux.v.k11.b01.te.h5... +Outputting fields to /tmp/meepnxUejc/test_poynting-0-flux.v.k11.b02.te.h5... +Outputting fields to /tmp/meepnxUejc/test_poynting-0-flux.v.k11.b03.te.h5... +Outputting fields to /tmp/meepnxUejc/test_poynting-0-flux.v.k11.b04.te.h5... +Outputting fields to /tmp/meepnxUejc/test_poynting-0-flux.v.k11.b05.te.h5... +Outputting fields to /tmp/meepnxUejc/test_poynting-0-flux.v.k11.b06.te.h5... +Outputting fields to /tmp/meepnxUejc/test_poynting-0-flux.v.k11.b07.te.h5... +Outputting fields to /tmp/meepnxUejc/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. @@ -74449,7 +74472,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.0650169849395752 +elapsed time for k point: 0.06249070167541504 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74496,7 +74519,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.0760495662689209 +elapsed time for k point: 0.07194089889526367 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74559,7 +74582,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.09927058219909668 +elapsed time for k point: 0.09822964668273926 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74632,7 +74655,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.17567038536071777 +elapsed time for k point: 0.11563682556152344 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -74827,7 +74850,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.37209200859069824 +..elapsed time for k point: 0.25789618492126465 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -74839,15 +74862,15 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.3494064807891846 +total elapsed time for run: 2.1376917362213135 done -/tmp/meepakjAzV/test_poynting-0: 2.36s +/tmp/meepnxUejc/test_poynting-0: 2.14s -/tmp/meepakjAzV/test_resolution-0 +/tmp/meepnxUejc/test_resolution-0 ======================== -/tmp/meepakjAzV/test_resolution-0: 0.00s +/tmp/meepnxUejc/test_resolution-0: 0.00s -/tmp/meepakjAzV/test_run_te-0 +/tmp/meepnxUejc/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -74890,7 +74913,7 @@ 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: 0.0013689994812011719 +elapsed time for initialization: 0.0013532638549804688 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... @@ -75001,7 +75024,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.1540241241455078 +elapsed time for k point: 0.145097017288208 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75252,7 +75275,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.4494349956512451 +elapsed time for k point: 0.40380048751831055 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75309,7 +75332,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.09306669235229492 +elapsed time for k point: 0.08976197242736816 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75362,7 +75385,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.08637166023254395 +elapsed time for k point: 0.08179640769958496 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75423,7 +75446,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.09719038009643555 +elapsed time for k point: 0.09494352340698242 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75516,7 +75539,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.15060925483703613 +elapsed time for k point: 0.14722108840942383 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75587,7 +75610,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.1396491527557373 +elapsed time for k point: 0.11144423484802246 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75648,7 +75671,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.09959149360656738 +elapsed time for k point: 0.09456419944763184 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75701,7 +75724,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.08922934532165527 +elapsed time for k point: 0.08187007904052734 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75753,7 +75776,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.08119726181030273 +elapsed time for k point: 0.07810807228088379 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75805,7 +75828,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.07942318916320801 +elapsed time for k point: 0.0779578685760498 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75846,7 +75869,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.06420469284057617 +elapsed time for k point: 0.061844825744628906 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75893,7 +75916,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.07173395156860352 +elapsed time for k point: 0.07275867462158203 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75956,7 +75979,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.10366559028625488 +elapsed time for k point: 0.09819555282592773 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -76029,7 +76052,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.11652874946594238 +elapsed time for k point: 0.1149592399597168 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -76224,7 +76247,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.2608664035797119 +.elapsed time for k point: 0.256850004196167 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -76236,11 +76259,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.1394689083099365 +total elapsed time for run: 2.0138280391693115 done -/tmp/meepakjAzV/test_run_te-0: 2.14s +/tmp/meepnxUejc/test_run_te-0: 2.01s -/tmp/meepakjAzV/test_run_te_no_geometry-0 +/tmp/meepnxUejc/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance @@ -76281,7 +76304,7 @@ 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: 0.0009706020355224609 +elapsed time for initialization: 0.0009853839874267578 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... @@ -76304,7 +76327,7 @@ 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: 0.024250030517578125 +elapsed time for k point: 0.024229764938354492 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace @@ -76314,35 +76337,35 @@ iteration 2: trace = 9.880000004055377 (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: 0.009070873260498047 +elapsed time for k point: 0.008983850479125977 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: 0.005591154098510742 +elapsed time for k point: 0.005682945251464844 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: 0.005658149719238281 +elapsed time for k point: 0.005636453628540039 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43813e-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: 0.0061075687408447266 +elapsed time for k point: 0.00570368766784668 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.97997e-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: 0.005666017532348633 +elapsed time for k point: 0.005669355392456055 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace @@ -76352,7 +76375,7 @@ 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: 0.008935213088989258 +elapsed time for k point: 0.00897836685180664 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace @@ -76362,7 +76385,7 @@ iteration 2: trace = 10.72763986624717 (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: 0.008944511413574219 +elapsed time for k point: 0.009000778198242188 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -76383,21 +76406,21 @@ iteration 8: trace = 10.7200001769306 (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: 0.02850627899169922 +elapsed time for k point: 0.028664112091064453 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: 0.006895542144775391 +elapsed time for k point: 0.005685567855834961 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: 0.006008148193359375 +elapsed time for k point: 0.005696535110473633 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace @@ -76559,35 +76582,35 @@ iteration 77: trace = 10.96000007994673 (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: 0.29754114151000977 +elapsed time for k point: 0.2553670406341553 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: 0.005600452423095703 +elapsed time for k point: 0.005643129348754883 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.840000001756971 (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: 0.005917549133300781 +elapsed time for k point: 0.005611419677734375 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165837 (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: 0.0057239532470703125 +elapsed time for k point: 0.00567317008972168 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76508e-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: 0.0047359466552734375 +.elapsed time for k point: 0.0047872066497802734 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: 0.5000000000350691 at Vector3<0.5, 0.0, 0.0> to 1.0000000000464644 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884213 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555262 at Vector3<0.5, 0.0, 0.0> @@ -76596,11 +76619,11 @@ Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085848 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164035 at Vector3<0.2, 0.0, 0.0> to 1.581138830089242 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.802775637652445 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.4374094009399414 +total elapsed time for run: 0.39324498176574707 done -/tmp/meepakjAzV/test_run_te_no_geometry-0: 0.44s +/tmp/meepnxUejc/test_run_te_no_geometry-0: 0.39s -/tmp/meepakjAzV/test_run_te_with_mu_material-0 +/tmp/meepnxUejc/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -76644,7 +76667,7 @@ 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: 0.0019617080688476562 +elapsed time for initialization: 0.0019469261169433594 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... @@ -77062,7 +77085,7 @@ iteration 204: trace = 6.85430077095844 (9.14962e-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: 1.1905722618103027 +elapsed time for k point: 1.066253423690796 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -77430,7 +77453,7 @@ iteration 152: trace = 6.791967496513665 (8.54575e-11% change) Finished solving for bands 1 to 8 after 152 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: 1.1598594188690186 +elapsed time for k point: 0.9538218975067139 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -77680,7 +77703,7 @@ iteration 106: trace = 6.760812143880038 (7.634e-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: 0.7608199119567871 +elapsed time for k point: 0.6669449806213379 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -77907,7 +77930,7 @@ iteration 101: trace = 6.801884535649821 (4.13933e-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: 0.9053771495819092 +elapsed time for k point: 0.6362771987915039 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -78478,7 +78501,7 @@ iteration 276: trace = 6.680068177089201 (8.90696e-11% change) Finished solving for bands 1 to 8 after 276 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 -elapsed time for k point: 2.235098123550415 +elapsed time for k point: 1.7276453971862793 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78639,7 +78662,7 @@ iteration 77: trace = 6.642769244576151 (8.15473e-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: 0.564547061920166 +elapsed time for k point: 0.48605799674987793 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78823,7 +78846,7 @@ iteration 87: trace = 6.663505677515312 (7.37227e-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: 0.6026105880737305 +elapsed time for k point: 0.547417402267456 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -79035,7 +79058,7 @@ iteration 102: trace = 6.708845621696623 (9.64852e-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: 0.9816744327545166 +elapsed time for k point: 0.6414844989776611 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -79290,7 +79313,7 @@ iteration 123: trace = 6.740400274229645 (8.9959e-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: 1.1910336017608643 +elapsed time for k point: 0.7740802764892578 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -79976,7 +79999,7 @@ iteration 331: trace = 6.638733455480923 (4.0163e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 -elapsed time for k point: 2.8845019340515137 +elapsed time for k point: 2.0672388076782227 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80121,7 +80144,7 @@ iteration 69: trace = 6.611072637361785 (7.57315e-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: 0.5237686634063721 +elapsed time for k point: 0.43553829193115234 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80328,7 +80351,7 @@ iteration 99: trace = 6.660936714441473 (9.18989e-11% change) Finished solving for bands 1 to 8 after 99 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: 0.6464877128601074 +elapsed time for k point: 0.6245987415313721 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80599,7 +80622,7 @@ iteration 127: trace = 6.720498465555194 (4.76303e-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: 1.132000207901001 +elapsed time for k point: 0.7987620830535889 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80854,7 +80877,7 @@ iteration 110: trace = 6.712756811015986 (9.78844e-11% change) Finished solving for bands 1 to 8 after 110 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: 0.8394441604614258 +elapsed time for k point: 0.6908013820648193 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81172,7 +81195,7 @@ iteration 132: trace = 6.746817618105011 (1.90226e-11% change) Finished solving for bands 1 to 8 after 132 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: 0.9009494781494141 +elapsed time for k point: 0.8292546272277832 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. @@ -81444,7 +81467,7 @@ iteration 132: trace = 6.854300770959935 (9.7431e-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: 0.8251144886016846 +elapsed time for k point: 0.689298152923584 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037401 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4732823234872291 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290618 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818523 at Vector3<0.5, 0.5, 0.0> to 0.8037365323031586 at Vector3<0.5, 0.0, 0.0> @@ -81455,14 +81478,14 @@ Band 8 range: 1.2059728636717484 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605643 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037401) to band 2 (0.4732823234872291), 12.756230634740582% Gap from band 4 (0.8863448167711523) to band 5 (0.9047498485810708), 2.055171305677368% -total elapsed time for run: 17.347115993499756 +total elapsed time for run: 13.638699769973755 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" -Outputting /tmp/meepakjAzV/test_run_te_with_mu_material-0-mu.h5... +Outputting /tmp/meepnxUejc/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/meepakjAzV/test_run_te_with_mu_material-0: 17.35s +./tmp/meepnxUejc/test_run_te_with_mu_material-0: 13.64s -/tmp/meepakjAzV/test_run_tm-0 +/tmp/meepnxUejc/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -81505,7 +81528,7 @@ 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: 0.0013380050659179688 +elapsed time for initialization: 0.0013818740844726562 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... @@ -81641,7 +81664,7 @@ iteration 61: trace = 4.373720851032822 (3.7751e-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: 0.16868019104003906 +elapsed time for k point: 0.1684112548828125 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81692,7 +81715,7 @@ iteration 23: trace = 4.290857263081678 (9.17394e-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: 0.08002638816833496 +elapsed time for k point: 0.07801651954650879 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -81723,7 +81746,7 @@ iteration 13: trace = 4.208307958519128 (3.87494e-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: 0.04603075981140137 +elapsed time for k point: 0.0452115535736084 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81754,7 +81777,7 @@ iteration 13: trace = 4.150444015828805 (1.03574e-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: 0.053614139556884766 +elapsed time for k point: 0.045290231704711914 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81785,7 +81808,7 @@ iteration 13: trace = 4.119598598621693 (1.08446e-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: 0.04526543617248535 +elapsed time for k point: 0.044981956481933594 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81816,7 +81839,7 @@ iteration 13: trace = 4.110777242725122 (6.70437e-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: 0.06156182289123535 +elapsed time for k point: 0.045126914978027344 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81845,7 +81868,7 @@ iteration 12: trace = 4.0994899642748 (2.50237e-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: 0.07636547088623047 +elapsed time for k point: 0.041808128356933594 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81872,7 +81895,7 @@ iteration 11: trace = 4.079452895803481 (8.21893e-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: 0.05701923370361328 +elapsed time for k point: 0.038564205169677734 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81901,7 +81924,7 @@ iteration 12: trace = 4.068759276129136 (1.19842e-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: 0.041939735412597656 +elapsed time for k point: 0.04174661636352539 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81934,7 +81957,7 @@ iteration 14: trace = 4.075526949349669 (2.6108e-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: 0.04833507537841797 +elapsed time for k point: 0.048398494720458984 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81969,7 +81992,7 @@ iteration 15: trace = 4.092150433618236 (9.14191e-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: 0.052376747131347656 +elapsed time for k point: 0.05165743827819824 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82006,7 +82029,7 @@ iteration 16: trace = 4.046652183676483 (2.1312e-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: 0.05541491508483887 +elapsed time for k point: 0.055167436599731445 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82035,7 +82058,7 @@ iteration 12: trace = 4.044513236396847 (3.21935e-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: 0.04204607009887695 +elapsed time for k point: 0.04182839393615723 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82064,7 +82087,7 @@ iteration 12: trace = 4.11341525975549 (2.54357e-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: 0.050549983978271484 +elapsed time for k point: 0.041839599609375 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82097,7 +82120,7 @@ iteration 14: trace = 4.240749642028246 (2.10067e-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: 0.051596641540527344 +elapsed time for k point: 0.04846549034118652 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -82229,7 +82252,7 @@ iteration 59: trace = 4.373720851594072 (8.81331e-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: 0.19019412994384766 +.elapsed time for k point: 0.16370415687561035 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> @@ -82240,11 +82263,11 @@ Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% -total elapsed time for run: 1.1236374378204346 +total elapsed time for run: 1.002898931503296 done -/tmp/meepakjAzV/test_run_tm-0: 1.12s +/tmp/meepnxUejc/test_run_tm-0: 1.00s -/tmp/meepakjAzV/test_set_eigenvectors-0 +/tmp/meepnxUejc/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -82287,7 +82310,7 @@ 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: 0.0013544559478759766 +elapsed time for initialization: 0.0013756752014160156 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... @@ -82398,7 +82421,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.3021528720855713 +elapsed time for k point: 0.14485859870910645 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82649,7 +82672,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.5533320903778076 +elapsed time for k point: 0.4025912284851074 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82706,7 +82729,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.11498212814331055 +elapsed time for k point: 0.08860087394714355 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82759,7 +82782,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.18246245384216309 +elapsed time for k point: 0.08157730102539062 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82820,7 +82843,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.19384384155273438 +elapsed time for k point: 0.0943918228149414 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82913,7 +82936,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.1906297206878662 +elapsed time for k point: 0.14691615104675293 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82984,7 +83007,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.1972808837890625 +elapsed time for k point: 0.11143636703491211 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83045,7 +83068,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.21855449676513672 +elapsed time for k point: 0.09463024139404297 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83098,7 +83121,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.16341161727905273 +elapsed time for k point: 0.0813899040222168 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83150,7 +83173,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.07860898971557617 +elapsed time for k point: 0.07784295082092285 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83202,7 +83225,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.07878780364990234 +elapsed time for k point: 0.07778429985046387 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83243,7 +83266,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.06635451316833496 +elapsed time for k point: 0.061429500579833984 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83290,7 +83313,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.07210683822631836 +elapsed time for k point: 0.07174372673034668 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83353,7 +83376,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.10021233558654785 +elapsed time for k point: 0.09769177436828613 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83426,7 +83449,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.11634111404418945 +elapsed time for k point: 0.11448860168457031 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -83621,7 +83644,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.25526905059814453 +elapsed time for k point: 0.2565898895263672 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -83633,7 +83656,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.886979103088379 +total elapsed time for run: 2.0066463947296143 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -83675,7 +83698,7 @@ 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: 0.0013544559478759766 +elapsed time for initialization: 0.0013723373413085938 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... @@ -83786,7 +83809,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.1560523509979248 +elapsed time for k point: 0.14428234100341797 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -84037,7 +84060,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.7606363296508789 +elapsed time for k point: 0.40104103088378906 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84094,7 +84117,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.18399310111999512 +elapsed time for k point: 0.08827924728393555 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84147,7 +84170,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.16845226287841797 +elapsed time for k point: 0.08106565475463867 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84208,7 +84231,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.19728350639343262 +elapsed time for k point: 0.09427928924560547 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84301,7 +84324,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.2888522148132324 +elapsed time for k point: 0.14727401733398438 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -84372,7 +84395,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.11435413360595703 +elapsed time for k point: 0.11099648475646973 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84433,7 +84456,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.09704089164733887 +elapsed time for k point: 0.09484529495239258 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84486,7 +84509,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.08352184295654297 +elapsed time for k point: 0.08111381530761719 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84538,7 +84561,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.07843995094299316 +elapsed time for k point: 0.07793784141540527 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84590,7 +84613,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.07989096641540527 +elapsed time for k point: 0.07783746719360352 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84631,7 +84654,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.06203436851501465 +elapsed time for k point: 0.061536550521850586 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84678,7 +84701,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.07358551025390625 +elapsed time for k point: 0.07145452499389648 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84741,7 +84764,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.1141042709350586 +elapsed time for k point: 0.09813833236694336 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84814,7 +84837,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.1215674877166748 +elapsed time for k point: 0.1143641471862793 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -85009,7 +85032,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.26728343963623047 +elapsed time for k point: 0.2555663585662842 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -85021,7 +85044,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.849735975265503 +total elapsed time for run: 2.002668857574463 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -85063,7 +85086,7 @@ 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: 0.0015652179718017578 +elapsed time for initialization: 0.0013756752014160156 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... @@ -85174,7 +85197,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.15481805801391602 +elapsed time for k point: 0.14413022994995117 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85425,7 +85448,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.4098527431488037 +elapsed time for k point: 0.40111255645751953 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85482,7 +85505,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.08866524696350098 +elapsed time for k point: 0.0889289379119873 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85535,7 +85558,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.13446998596191406 +elapsed time for k point: 0.0814523696899414 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85596,7 +85619,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.1921544075012207 +elapsed time for k point: 0.09427356719970703 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85689,7 +85712,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.3419506549835205 +elapsed time for k point: 0.146714448928833 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85760,7 +85783,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.2298283576965332 +elapsed time for k point: 0.11164188385009766 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85821,7 +85844,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.19274020195007324 +elapsed time for k point: 0.0947713851928711 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85874,7 +85897,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.16388487815856934 +elapsed time for k point: 0.0814366340637207 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85926,7 +85949,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.15627789497375488 +elapsed time for k point: 0.07782864570617676 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85978,7 +86001,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.16428828239440918 +elapsed time for k point: 0.07761955261230469 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86019,7 +86042,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.12665939331054688 +elapsed time for k point: 0.06149005889892578 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86066,7 +86089,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.14484643936157227 +elapsed time for k point: 0.07125616073608398 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86129,7 +86152,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.20293974876403809 +elapsed time for k point: 0.0978841781616211 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86202,7 +86225,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.19016647338867188 +elapsed time for k point: 0.11405420303344727 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -86397,7 +86420,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.26404786109924316 +.elapsed time for k point: 0.2555830478668213 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -86409,11 +86432,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 3.1604602336883545 +total elapsed time for run: 2.002838134765625 done -/tmp/meepakjAzV/test_set_eigenvectors-0: 8.90s +/tmp/meepnxUejc/test_set_eigenvectors-0: 6.01s -/tmp/meepakjAzV/test_sq_rods-0 +/tmp/meepnxUejc/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -86456,7 +86479,7 @@ 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: 0.0014176368713378906 +elapsed time for initialization: 0.0013878345489501953 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... @@ -86555,7 +86578,7 @@ iteration 46: trace = 5.628864169013057 (5.98182e-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: 0.13789033889770508 +elapsed time for k point: 0.12820816040039062 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 14 iterations. @@ -86834,7 +86857,7 @@ iteration 134: trace = 5.63851519575991 (7.11045e-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: 0.4965498447418213 +elapsed time for k point: 0.4445192813873291 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86893,7 +86916,7 @@ iteration 27: trace = 5.595179271816558 (4.70664e-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: 0.16212248802185059 +elapsed time for k point: 0.09116840362548828 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86942,7 +86965,7 @@ iteration 22: trace = 5.577903304673043 (5.97596e-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: 0.1572120189666748 +elapsed time for k point: 0.07445478439331055 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87001,7 +87024,7 @@ iteration 27: trace = 5.594031416858383 (7.93069e-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: 0.18986296653747559 +elapsed time for k point: 0.0913543701171875 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87104,7 +87127,7 @@ iteration 48: trace = 5.637414337940057 (7.79876e-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: 0.27023887634277344 +elapsed time for k point: 0.16012334823608398 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87175,7 +87198,7 @@ iteration 33: trace = 5.518941371312549 (7.7296e-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: 0.14114975929260254 +elapsed time for k point: 0.11065006256103516 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87234,7 +87257,7 @@ iteration 27: trace = 5.342524465514544 (5.97325e-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: 0.10323762893676758 +elapsed time for k point: 0.09113097190856934 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87285,7 +87308,7 @@ iteration 23: trace = 5.199556238067979 (9.53848e-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: 0.0803380012512207 +elapsed time for k point: 0.07761764526367188 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87337,7 +87360,7 @@ iteration 23: trace = 5.110086770190959 (3.55787e-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: 0.07905364036560059 +elapsed time for k point: 0.0777742862701416 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87387,7 +87410,7 @@ iteration 22: trace = 5.079827770073004 (8.13725e-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: 0.07484149932861328 +elapsed time for k point: 0.07458019256591797 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87428,7 +87451,7 @@ iteration 18: trace = 5.139784911490271 (2.6802e-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: 0.06176328659057617 +elapsed time for k point: 0.06145644187927246 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87473,7 +87496,7 @@ iteration 20: trace = 5.3079241743296 (7.07641e-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: 0.06938958168029785 +elapsed time for k point: 0.06797242164611816 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87530,7 +87553,7 @@ iteration 26: trace = 5.515690777956149 (3.99832e-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: 0.08883213996887207 +elapsed time for k point: 0.0879814624786377 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87605,7 +87628,7 @@ iteration 35: trace = 5.620307970788173 (8.50361e-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: 0.11904501914978027 +elapsed time for k point: 0.11710047721862793 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -87783,7 +87806,7 @@ iteration 85: trace = 5.628864169011917 (5.73409e-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: 0.23815655708312988 +elapsed time for k point: 0.2335805892944336 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219018 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067495 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519592 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470327 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911942 at Vector3<0.0, 0.0, 0.0> @@ -87795,7 +87818,7 @@ Gap from band 2 (0.5943440245519592) to band 3 (0.5943566394470327), 0.0021224679106323554% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339184), 1.586071064729172% Gap from band 7 (1.0958021492221035) to band 8 (1.097416809585407), 0.14724114588007364% -total elapsed time for run: 2.4724199771881104 +total elapsed time for run: 1.9923386573791504 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -87837,7 +87860,7 @@ 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: 0.0014071464538574219 +elapsed time for initialization: 0.001377105712890625 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... @@ -87914,7 +87937,7 @@ iteration 35: trace = 4.48379827469335 (8.37904e-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: 0.10258722305297852 +elapsed time for k point: 0.0972743034362793 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87973,7 +87996,7 @@ iteration 27: trace = 4.398155533647456 (5.80587e-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: 0.09942841529846191 +elapsed time for k point: 0.09088444709777832 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88004,7 +88027,7 @@ iteration 13: trace = 4.31446585571558 (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: 0.0451359748840332 +elapsed time for k point: 0.045029401779174805 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88035,7 +88058,7 @@ iteration 13: trace = 4.256363888498332 (1.19568e-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: 0.058103322982788086 +elapsed time for k point: 0.04492640495300293 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88066,7 +88089,7 @@ iteration 13: trace = 4.226095324429568 (1.07605e-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: 0.09499096870422363 +elapsed time for k point: 0.04494524002075195 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88099,7 +88122,7 @@ iteration 14: trace = 4.217772179352377 (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: 0.11815071105957031 +elapsed time for k point: 0.048337459564208984 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88126,7 +88149,7 @@ iteration 11: trace = 4.205423828027399 (3.82269e-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: 0.0799560546875 +elapsed time for k point: 0.038542985916137695 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88155,7 +88178,7 @@ iteration 12: trace = 4.182592281022643 (3.09396e-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: 0.08723616600036621 +elapsed time for k point: 0.041900634765625 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88184,7 +88207,7 @@ iteration 12: trace = 4.167811239279438 (1.56419e-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: 0.08728337287902832 +elapsed time for k point: 0.04191279411315918 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88217,7 +88240,7 @@ iteration 14: trace = 4.169023318668043 (1.86199e-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: 0.11043572425842285 +elapsed time for k point: 0.048287391662597656 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88252,7 +88275,7 @@ iteration 15: trace = 4.178672965088623 (1.77692e-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: 0.10547447204589844 +elapsed time for k point: 0.05159640312194824 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88291,7 +88314,7 @@ iteration 17: trace = 4.14101257803556 (3.44889e-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: 0.1203920841217041 +elapsed time for k point: 0.058135032653808594 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88320,7 +88343,7 @@ iteration 12: trace = 4.14133040570003 (2.94249e-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: 0.08751702308654785 +elapsed time for k point: 0.04192852973937988 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88349,7 +88372,7 @@ iteration 12: trace = 4.213521375941404 (1.81492e-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: 0.08733606338500977 +elapsed time for k point: 0.041829824447631836 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88380,7 +88403,7 @@ iteration 13: trace = 4.345426086018986 (7.1497e-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: 0.09492874145507812 +elapsed time for k point: 0.04514169692993164 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -88513,7 +88536,7 @@ iteration 59: trace = 4.48379802415644 (6.17633e-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: 0.1979219913482666 +.elapsed time for k point: 0.1632683277130127 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975133 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831293 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5029830978365978 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128112 at Vector3<0.5, 0.0, 0.0> @@ -88524,11 +88547,11 @@ Band 8 range: 0.8929933495598094 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093362 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965476) to band 2 (0.42065733839975133), 38.14282289547772% Gap from band 4 (0.7200918204564002) to band 5 (0.7472029910480837), 3.695395142014472% -total elapsed time for run: 1.579559087753296 +total elapsed time for run: 0.946570873260498 done -/tmp/meepakjAzV/test_sq_rods-0: 4.06s +/tmp/meepnxUejc/test_sq_rods-0: 2.94s -/tmp/meepakjAzV/test_strip-0 +/tmp/meepnxUejc/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance @@ -88570,7 +88593,7 @@ 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: 0.006304502487182617 +elapsed time for initialization: 0.004203319549560547 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... @@ -88659,7 +88682,7 @@ iteration 41: trace = 0.2686493130629992 (6.0832e-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: 0.30199670791625977 +elapsed time for k point: 0.26664304733276367 zparity:, 1, 0.991845764322559, -0.9993165778921825, 0.9263952713918745, 0.734287985500236 yparity:, 1, -0.9999999941669303, 0.9999999948774843, 0.9999993171367377, -0.999990343487298 solve_kpoint (0.39,0,0): @@ -88726,7 +88749,7 @@ iteration 30: trace = 0.6068839394817216 (4.76188e-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: 0.20851922035217285 +elapsed time for k point: 0.196122407913208 zparity:, 2, 0.8497976290527355, -0.8562083115829646, 0.613504714456493, 0.7040493643450679 yparity:, 2, -0.9999999782411549, 0.9999997901628059, 1.000005868341607, -0.9999353452610711 solve_kpoint (0.68,0,0): @@ -88799,7 +88822,7 @@ iteration 33: trace = 1.207704486916823 (5.59108e-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: 0.22220778465270996 +elapsed time for k point: 0.2151322364807129 zparity:, 3, 0.6430471097756447, -0.5132970565001864, 0.749333227902697, -0.5174581396280994 yparity:, 3, -1.0000092437102739, 0.9999867307863455, -0.9999773484878718, 0.9999739527336347 solve_kpoint (0.97,0,0): @@ -88862,7 +88885,7 @@ iteration 28: trace = 1.883192742813691 (5.95203e-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: 0.3671889305114746 +elapsed time for k point: 0.18320178985595703 zparity:, 4, 0.9505599456752065, -0.795378249423283, 0.2909593295980241, -0.2599400191523577 yparity:, 4, -0.9999756485606782, 0.9999734198098535, -0.9999951573073973, 1.000002402143964 solve_kpoint (1.26,0,0): @@ -88975,7 +88998,7 @@ iteration 53: trace = 2.604105949809357 (7.31762e-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: 0.5346047878265381 +elapsed time for k point: 0.3464517593383789 zparity:, 5, 0.989433203647212, -0.9410345597944496, -0.9057097520341679, 0.12590511654500938 yparity:, 5, -0.9999341958042025, 0.9999920496328631, -0.9999957145770669, 1.0000214447225875 solve_kpoint (1.55,0,0): @@ -89040,7 +89063,7 @@ iteration 29: trace = 3.170970083323871 (9.72916e-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: 0.28006529808044434 +elapsed time for k point: 0.19164609909057617 zparity:, 6, 0.9953267395056951, -0.9730766670040221, -0.986247911215252, 0.7878496622631198 yparity:, 6, -0.9999079119735855, 0.9999964725103828, -1.000000377490359, 1.0001762821174565 solve_kpoint (1.84,0,0): @@ -89113,7 +89136,7 @@ iteration 32: trace = 3.666115155387485 (3.63279e-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: 0.40833377838134766 +elapsed time for k point: 0.21144652366638184 zparity:, 7, 0.9973241081197969, -0.984353627051524, -0.9920656947485795, 0.9432892229195069 yparity:, 7, -0.9998843493066407, 0.9999987176028036, -1.000004228955064, 1.000251295159799 solve_kpoint (2.13,0,0): @@ -89347,7 +89370,7 @@ iteration 111: trace = 4.142245065134214 (5.83864e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 -elapsed time for k point: 1.1373095512390137 +elapsed time for k point: 0.7118923664093018 zparity:, 8, 0.9982486290503177, -0.9895791223046916, -0.9942480254116284, -0.9858374395357821 yparity:, 8, -0.9998633636102361, 1.0000002772665153, -1.0000094946193563, -0.9998446077472626 solve_kpoint (2.42,0,0): @@ -89398,7 +89421,7 @@ iteration 22: trace = 4.658682156001959 (6.49736e-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: 0.1977369785308838 +elapsed time for k point: 0.1425631046295166 zparity:, 9, 0.9987530861905035, -0.9924225574132503, -0.9954159207907368, -0.9908510257235786 yparity:, 9, -0.9998459146893053, 1.000001510036795, -1.0000160082783978, -0.9998409671139477 solve_kpoint (2.71,0,0): @@ -89437,7 +89460,7 @@ iteration 16: trace = 5.22582194181603 (8.96197e-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: 0.20207738876342773 +elapsed time for k point: 0.10463881492614746 zparity:, 10, 0.999058451884413, -0.9941385054596745, -0.996144476211231, -0.9934909746544984 yparity:, 10, -0.999833271897719, 1.000002524621246, -1.0000230923335933, -0.9998348121389271 solve_kpoint (3,0,0): @@ -89476,18 +89499,18 @@ iteration 16: trace = 5.844970311253993 (6.88361e-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: 0.10842442512512207 +Felapsed time for k point: 0.10658502578735352 zparity:, 11, 0.999257350936381, -0.9952507980580001, -0.9966396089669411, -0.9950905165813099 yparity:, 11, -0.9998264814151208, 1.000003358403511, -1.0000301573652695, -0.9998331550675029 Band 1 range: 0.08075820534047619 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106427 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.0855765355012531 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904504 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800331054 at Vector3<0.1, 0.0, 0.0> to 1.2769288087738555 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568814 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201543 at Vector3<3.0, 0.0, 0.0> -total elapsed time for run: 3.9773147106170654 +total elapsed time for run: 2.6829638481140137 done -/tmp/meepakjAzV/test_strip-0: 3.98s +/tmp/meepnxUejc/test_strip-0: 2.68s -/tmp/meepakjAzV/test_subpixel_averaging-0 +/tmp/meepnxUejc/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -89530,7 +89553,7 @@ 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: 0.001382589340209961 +elapsed time for initialization: 0.0013613700866699219 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... @@ -89641,7 +89664,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-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: 0.14825177192687988 +elapsed time for k point: 0.1447618007659912 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89892,7 +89915,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-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: 0.42717719078063965 +elapsed time for k point: 0.40468931198120117 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89949,7 +89972,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-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: 0.09864401817321777 +elapsed time for k point: 0.08906745910644531 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90002,7 +90025,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-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: 0.08505368232727051 +elapsed time for k point: 0.08176589012145996 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90063,7 +90086,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-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: 0.09558820724487305 +elapsed time for k point: 0.09560871124267578 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90156,7 +90179,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-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: 0.1505746841430664 +elapsed time for k point: 0.14884161949157715 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -90227,7 +90250,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-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: 0.11280298233032227 +elapsed time for k point: 0.11221432685852051 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90288,7 +90311,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-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: 0.09724760055541992 +elapsed time for k point: 0.09512138366699219 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90341,7 +90364,7 @@ iteration 24: trace = 5.096544273410623 (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: 0.08899283409118652 +elapsed time for k point: 0.08249592781066895 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90393,7 +90416,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-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: 0.07828450202941895 +elapsed time for k point: 0.07868480682373047 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90445,7 +90468,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-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: 0.07993102073669434 +elapsed time for k point: 0.07856321334838867 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90486,7 +90509,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-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: 0.07694458961486816 +elapsed time for k point: 0.06235098838806152 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90533,7 +90556,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-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: 0.0732278823852539 +elapsed time for k point: 0.0720219612121582 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90596,7 +90619,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-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: 0.10314512252807617 +elapsed time for k point: 0.10151004791259766 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90669,7 +90692,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-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: 0.11810898780822754 +elapsed time for k point: 0.11975741386413574 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -90864,7 +90887,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-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: 0.29550886154174805 +elapsed time for k point: 0.2675940990447998 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -90876,13 +90899,13 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.132143974304199 +total elapsed time for run: 2.0377345085144043 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepakjAzV/test_subpixel_averaging-0-epsilon.h5... -/tmp/meepakjAzV/test_subpixel_averaging-0: 2.16s +.Outputting /tmp/meepnxUejc/test_subpixel_averaging-0-epsilon.h5... +/tmp/meepnxUejc/test_subpixel_averaging-0: 2.05s -/tmp/meepakjAzV/test_symmetry_overlap-0 +/tmp/meepnxUejc/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90910,7 +90933,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> -elapsed time for initialization: 0.06462264060974121 +elapsed time for initialization: 0.04818606376647949 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... @@ -90971,8 +90994,8 @@ iteration 27: trace = 2.04033564540094 (3.41501e-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: 5.075688123703003 -total elapsed time for run: 5.140403509140015 +elapsed time for k point: 4.845136642456055 +total elapsed time for run: 4.893430233001709 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90999,7 +91022,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.04636240005493164 +elapsed time for initialization: 0.04427814483642578 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... @@ -91182,8 +91205,8 @@ iteration 87: trace = 2.470085654421875 (7.31194e-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: 13.043042182922363 -total elapsed time for run: 13.089510917663574 +elapsed time for k point: 9.923802137374878 +total elapsed time for run: 9.968183040618896 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -91210,7 +91233,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0807039737701416 +elapsed time for initialization: 0.04430508613586426 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... @@ -91279,12 +91302,12 @@ iteration 31: trace = 2.293368820559674 (4.40532e-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: 6.52918815612793 -total elapsed time for run: 6.610013246536255 +.elapsed time for k point: 3.5053703784942627 +total elapsed time for run: 3.549791097640991 done -/tmp/meepakjAzV/test_symmetry_overlap-0: 25.43s +/tmp/meepnxUejc/test_symmetry_overlap-0: 18.85s -/tmp/meepakjAzV/test_tri_holes-0 +/tmp/meepnxUejc/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -91327,7 +91350,7 @@ 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: 0.00612950325012207 +elapsed time for initialization: 0.002099752426147461 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... @@ -91449,7 +91472,7 @@ iteration 56: trace = 4.451949513355888 (5.7038e-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: 0.28122925758361816 +elapsed time for k point: 0.15335464477539062 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91558,7 +91581,7 @@ iteration 51: trace = 4.458889461747212 (4.20297e-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: 0.3156740665435791 +elapsed time for k point: 0.17132258415222168 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91619,7 +91642,7 @@ iteration 28: trace = 4.481554639580319 (5.76719e-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: 0.17290425300598145 +elapsed time for k point: 0.09475517272949219 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91678,7 +91701,7 @@ iteration 27: trace = 4.534239367259118 (5.22811e-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: 0.17020106315612793 +elapsed time for k point: 0.09211206436157227 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91743,7 +91766,7 @@ iteration 30: trace = 4.607273350205848 (7.40265e-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: 0.18431973457336426 +elapsed time for k point: 0.10114073753356934 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91818,7 +91841,7 @@ iteration 35: trace = 4.654583747911483 (5.95734e-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: 0.2221531867980957 +elapsed time for k point: 0.11768937110900879 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91879,7 +91902,7 @@ iteration 28: trace = 4.657802402861526 (2.96708e-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: 0.17366743087768555 +elapsed time for k point: 0.09484004974365234 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91946,7 +91969,7 @@ iteration 31: trace = 4.667096098888665 (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: 0.19195961952209473 +elapsed time for k point: 0.10670971870422363 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92013,7 +92036,7 @@ iteration 31: trace = 4.681614604980835 (5.63268e-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: 0.19559788703918457 +elapsed time for k point: 0.10697627067565918 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92082,7 +92105,7 @@ iteration 32: trace = 4.699960544782283 (8.85351e-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: 0.2037363052368164 +elapsed time for k point: 0.11048769950866699 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92197,7 +92220,7 @@ iteration 54: trace = 4.719164720216025 (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: 0.32970428466796875 +elapsed time for k point: 0.18066692352294922 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92260,7 +92283,7 @@ iteration 29: trace = 4.65395680404941 (5.67951e-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: 0.17632007598876953 +elapsed time for k point: 0.09868526458740234 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92317,7 +92340,7 @@ iteration 26: trace = 4.565737534032801 (6.61212e-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: 0.1658799648284912 +elapsed time for k point: 0.08892083168029785 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92372,7 +92395,7 @@ iteration 25: trace = 4.495299578884336 (5.17658e-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: 0.1586315631866455 +elapsed time for k point: 0.08555197715759277 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92440,7 +92463,7 @@ iteration 31: trace = 4.462569920661394 (8.71745e-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: 0.19193696975708008 +elapsed time for k point: 0.10578203201293945 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -92669,7 +92692,7 @@ iteration 109: trace = 4.451949513352739 (8.87789e-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: 0.5497844219207764 +elapsed time for k point: 0.29669666290283203 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117474 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.49243428236220704 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.526971050644882 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> @@ -92681,7 +92704,7 @@ Gap from band 1 (0.2993049473117474) to band 2 (0.49243428236220704), 48.78609719263048% Gap from band 5 (0.7988168792802602) to band 6 (0.825978716470153), 3.343415905475546% Gap from band 7 (0.9834563303529559) to band 8 (0.9984200611839871), 1.5100569233207162% -total elapsed time for run: 3.691168785095215 +total elapsed time for run: 2.009064197540283 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -92723,7 +92746,7 @@ 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: 0.0021386146545410156 +elapsed time for initialization: 0.002086162567138672 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... @@ -92792,7 +92815,7 @@ iteration 31: trace = 2.86249068861899 (4.55494e-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: 0.16090035438537598 +elapsed time for k point: 0.0868368148803711 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92837,7 +92860,7 @@ iteration 20: trace = 2.835301328478701 (6.87443e-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: 0.12636756896972656 +elapsed time for k point: 0.06887626647949219 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -92874,7 +92897,7 @@ iteration 16: trace = 2.795630871597671 (2.5162e-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: 0.10505557060241699 +elapsed time for k point: 0.05515623092651367 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. @@ -92907,7 +92930,7 @@ iteration 14: trace = 2.771565390381668 (1.6007e-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: 0.08565759658813477 +elapsed time for k point: 0.04873013496398926 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92938,7 +92961,7 @@ iteration 13: trace = 2.76461709410778 (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: 0.08623766899108887 +elapsed time for k point: 0.04553484916687012 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92973,7 +92996,7 @@ iteration 15: trace = 2.765514654374652 (5.36501e-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: 0.09283924102783203 +elapsed time for k point: 0.052237749099731445 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93006,7 +93029,7 @@ iteration 14: trace = 2.765656097342629 (9.76443e-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: 0.08592057228088379 +elapsed time for k point: 0.04886341094970703 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93041,7 +93064,7 @@ iteration 15: trace = 2.766440393053365 (2.33086e-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: 0.10063719749450684 +elapsed time for k point: 0.0518648624420166 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93076,7 +93099,7 @@ iteration 15: trace = 2.768905996249788 (5.57336e-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: 0.08897566795349121 +elapsed time for k point: 0.05207967758178711 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93113,7 +93136,7 @@ iteration 16: trace = 2.774529530826193 (2.4313e-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: 0.10445022583007812 +elapsed time for k point: 0.055533409118652344 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93175,7 +93198,7 @@ iteration 27: trace = 2.784404130698568 (1.99843e-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: 0.16550707817077637 +elapsed time for k point: 0.09175324440002441 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -93210,7 +93233,7 @@ iteration 15: trace = 2.766275694185344 (1.14944e-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: 0.09727096557617188 +elapsed time for k point: 0.05176234245300293 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -93241,7 +93264,7 @@ iteration 13: trace = 2.76576657496863 (1.10951e-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: 0.08311820030212402 +elapsed time for k point: 0.045220136642456055 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -93272,7 +93295,7 @@ iteration 13: trace = 2.786825446005419 (1.54254e-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: 0.08668899536132812 +elapsed time for k point: 0.04533886909484863 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -93313,7 +93336,7 @@ iteration 18: trace = 2.829270279885341 (1.59631e-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: 0.11141347885131836 +elapsed time for k point: 0.061641693115234375 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 7 iterations. @@ -93381,7 +93404,7 @@ iteration 31: trace = 2.86249068861861 (3.02369e-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: 0.15668606758117676 +.elapsed time for k point: 0.08604979515075684 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: 0.2801552391378438 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046674 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448603 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980675 at Vector3<0.0, 0.0, 0.0> @@ -93396,11 +93419,11 @@ Gap from band 4 (0.5808701365268195) to band 5 (0.5810352468043717), 0.028420606345552754% Gap from band 5 (0.6824860801372995) to band 6 (0.6825317446714997), 0.006690686871665024% Gap from band 7 (0.7841042622393077) to band 8 (0.7980077872594105), 1.7575904341930733% -total elapsed time for run: 1.7411973476409912 +total elapsed time for run: 0.9508326053619385 done -/tmp/meepakjAzV/test_tri_holes-0: 5.43s +/tmp/meepnxUejc/test_tri_holes-0: 2.96s -/tmp/meepakjAzV/test_tri_rods-0 +/tmp/meepnxUejc/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -93442,7 +93465,7 @@ 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: 0.009546279907226562 +elapsed time for initialization: 0.0014605522155761719 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... @@ -93497,7 +93520,7 @@ iteration 24: trace = 4.577894626572792 (4.43323e-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: 0.11989068984985352 +elapsed time for k point: 0.06641101837158203 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93538,7 +93561,7 @@ iteration 18: trace = 4.546667003404457 (4.25075e-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: 0.10997986793518066 +elapsed time for k point: 0.06100940704345703 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93573,7 +93596,7 @@ iteration 15: trace = 4.456771796562712 (4.07144e-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: 0.09212756156921387 +elapsed time for k point: 0.05087852478027344 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93606,7 +93629,7 @@ iteration 14: trace = 4.364565233298253 (3.14811e-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: 0.09352827072143555 +elapsed time for k point: 0.04784584045410156 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93637,7 +93660,7 @@ iteration 13: trace = 4.304069964437598 (7.1957e-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: 0.07766056060791016 +elapsed time for k point: 0.04436469078063965 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93668,7 +93691,7 @@ iteration 13: trace = 4.283477065616427 (4.15529e-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: 0.0814507007598877 +elapsed time for k point: 0.04462146759033203 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93697,7 +93720,7 @@ iteration 12: trace = 4.264474631199773 (8.73084e-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: 0.07420611381530762 +elapsed time for k point: 0.04120206832885742 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93726,7 +93749,7 @@ iteration 12: trace = 4.228595652264469 (8.10758e-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: 0.08238577842712402 +elapsed time for k point: 0.04122781753540039 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93751,7 +93774,7 @@ iteration 10: trace = 4.19657782122971 (9.14088e-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: 0.06377887725830078 +elapsed time for k point: 0.03475165367126465 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93776,7 +93799,7 @@ iteration 10: trace = 4.175651761333511 (5.29421e-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: 0.059973955154418945 +elapsed time for k point: 0.03506588935852051 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93799,23 +93822,23 @@ iteration 9: trace = 4.168411689609142 (8.90435e-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: 0.060321807861328125 +elapsed time for k point: 0.03156876564025879 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 -Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b01.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 -Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b02.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 -Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b03.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657 -Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b04.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168 -Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b05.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 -Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b06.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881 -Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b07.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 -Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b08.z.tm.h5... +Outputting fields to /tmp/meepnxUejc/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. @@ -93842,7 +93865,7 @@ iteration 11: trace = 4.1978540503093 (1.33083e-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: 0.06674909591674805 +elapsed time for k point: 0.03831171989440918 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93871,7 +93894,7 @@ iteration 12: trace = 4.283266488990683 (1.10938e-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: 0.07845902442932129 +elapsed time for k point: 0.04150581359863281 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93902,7 +93925,7 @@ iteration 13: trace = 4.410102274545237 (2.53155e-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: 0.08680415153503418 +elapsed time for k point: 0.04454398155212402 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93941,7 +93964,7 @@ iteration 17: trace = 4.5345176227572 (7.85245e-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: 0.1037142276763916 +elapsed time for k point: 0.05761361122131348 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -93978,7 +94001,7 @@ iteration 16: trace = 4.577894626572483 (2.56293e-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: 0.08588385581970215 +elapsed time for k point: 0.044676780700683594 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> @@ -93992,7 +94015,7 @@ Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% -total elapsed time for run: 1.375537633895874 +total elapsed time for run: 0.7422995567321777 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -94042,7 +94065,7 @@ 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: 0.0015156269073486328 +elapsed time for initialization: 0.0014796257019042969 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... @@ -94161,7 +94184,7 @@ iteration 56: trace = 6.205337647125866 (6.95189e-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: 0.27500128746032715 +elapsed time for k point: 0.15146422386169434 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94228,7 +94251,7 @@ iteration 31: trace = 6.070460070673303 (7.67843e-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: 0.18970561027526855 +elapsed time for k point: 0.10255742073059082 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94291,7 +94314,7 @@ iteration 29: trace = 5.856237734706174 (2.87099e-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: 0.17399239540100098 +elapsed time for k point: 0.09682035446166992 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94346,7 +94369,7 @@ iteration 25: trace = 5.679316226598069 (4.88088e-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: 0.15301036834716797 +elapsed time for k point: 0.08386802673339844 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94397,7 +94420,7 @@ iteration 23: trace = 5.567356944539206 (5.39222e-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: 0.142348051071167 +elapsed time for k point: 0.07692527770996094 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94446,7 +94469,7 @@ iteration 22: trace = 5.529271313719439 (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: 0.1351451873779297 +elapsed time for k point: 0.07441139221191406 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94499,7 +94522,7 @@ iteration 24: trace = 5.53215360606891 (8.05311e-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: 0.14577817916870117 +elapsed time for k point: 0.08016347885131836 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94552,7 +94575,7 @@ iteration 24: trace = 5.534695993739176 (6.50404e-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: 0.14953970909118652 +elapsed time for k point: 0.08040118217468262 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94603,7 +94626,7 @@ iteration 23: trace = 5.527140023966947 (5.31897e-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: 0.13905119895935059 +elapsed time for k point: 0.0776667594909668 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94652,7 +94675,7 @@ iteration 22: trace = 5.514581486526159 (5.58717e-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: 0.13580632209777832 +elapsed time for k point: 0.07415175437927246 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94695,7 +94718,7 @@ iteration 19: trace = 5.508642232131606 (7.07332e-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: 0.12099671363830566 +elapsed time for k point: 0.0635976791381836 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94742,7 +94765,7 @@ iteration 21: trace = 5.538947612933673 (6.49263e-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: 0.12360072135925293 +elapsed time for k point: 0.07103490829467773 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94791,7 +94814,7 @@ iteration 22: trace = 5.636892705526574 (7.80263e-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: 0.1397533416748047 +elapsed time for k point: 0.07436156272888184 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94850,7 +94873,7 @@ iteration 27: trace = 5.807436111839939 (8.667e-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: 0.15949344635009766 +elapsed time for k point: 0.08992838859558105 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94921,7 +94944,7 @@ iteration 33: trace = 6.03914874547851 (4.55623e-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: 0.20374059677124023 +elapsed time for k point: 0.10962200164794922 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. @@ -94996,7 +95019,7 @@ iteration 35: trace = 6.205337647122201 (8.2916e-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: 0.17310738563537598 +elapsed time for k point: 0.0952615737915039 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675777 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4730722390280759 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714032 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839753 at Vector3<0.0, 0.0, 0.0> @@ -95007,7 +95030,7 @@ Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.1168107191255356 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714032) to band 3 (0.5631505198559037), 0.007916844195590661% Gap from band 4 (0.8214230044191522) to band 5 (0.865194814441527), 5.190483526605094% -total elapsed time for run: 2.562936544418335 +total elapsed time for run: 1.4049286842346191 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors @@ -95017,9 +95040,9 @@ Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 -./tmp/meepakjAzV/test_tri_rods-0: 4.03s +./tmp/meepnxUejc/test_tri_rods-0: 2.16s -/tmp/meepakjAzV/test_triangular_lattice-0 +/tmp/meepnxUejc/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -95062,7 +95085,7 @@ 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: 0.0014576911926269531 +elapsed time for initialization: 0.0014348030090332031 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... @@ -95117,7 +95140,7 @@ iteration 24: trace = 4.577894626572792 (4.43323e-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: 0.11612701416015625 +elapsed time for k point: 0.0671384334564209 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95158,7 +95181,7 @@ iteration 18: trace = 4.546667003404457 (4.25075e-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: 0.11791181564331055 +elapsed time for k point: 0.06142616271972656 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95193,7 +95216,7 @@ iteration 15: trace = 4.456771796562712 (4.07144e-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: 0.09195876121520996 +elapsed time for k point: 0.05120086669921875 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95226,7 +95249,7 @@ iteration 14: trace = 4.364565233298253 (3.14811e-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: 0.08492398262023926 +elapsed time for k point: 0.04834794998168945 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95257,7 +95280,7 @@ iteration 13: trace = 4.304069964437598 (7.1957e-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: 0.08172273635864258 +elapsed time for k point: 0.04509401321411133 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95288,7 +95311,7 @@ iteration 13: trace = 4.283477065616427 (4.15529e-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: 0.08547449111938477 +elapsed time for k point: 0.04509472846984863 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95317,7 +95340,7 @@ iteration 12: trace = 4.264474631199773 (8.73084e-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: 0.07421660423278809 +elapsed time for k point: 0.041925907135009766 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95346,7 +95369,7 @@ iteration 12: trace = 4.228595652264469 (8.10758e-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: 0.07484650611877441 +elapsed time for k point: 0.04153132438659668 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95371,7 +95394,7 @@ iteration 10: trace = 4.19657782122971 (9.14088e-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: 0.06500983238220215 +elapsed time for k point: 0.035147905349731445 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95396,7 +95419,7 @@ iteration 10: trace = 4.175651761333511 (5.29421e-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: 0.06965470314025879 +elapsed time for k point: 0.03551626205444336 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95419,7 +95442,7 @@ iteration 9: trace = 4.168411689609142 (8.90435e-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: 0.056772708892822266 +elapsed time for k point: 0.03189396858215332 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95446,7 +95469,7 @@ iteration 11: trace = 4.1978540503093 (1.3266e-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: 0.07476925849914551 +elapsed time for k point: 0.038436174392700195 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95475,7 +95498,7 @@ iteration 12: trace = 4.283266488990684 (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: 0.07407450675964355 +elapsed time for k point: 0.04175567626953125 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95506,7 +95529,7 @@ iteration 13: trace = 4.410102274545239 (2.51544e-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: 0.08189105987548828 +elapsed time for k point: 0.045012712478637695 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95545,7 +95568,7 @@ iteration 17: trace = 4.534517622757202 (7.84853e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.10252761840820312 +elapsed time for k point: 0.0577242374420166 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -95650,10 +95673,10 @@ AssertionError: -0.9945407488966614 != -0.9950905165813099 within 3 places (0.0005497676846484278 difference) ---------------------------------------------------------------------- -Ran 47 tests in 477.803s +Ran 47 tests in 273.954s FAILED (failures=5) -elapsed time for k point: 0.08216691017150879 +elapsed time for k point: 0.04540300369262695 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797745 at Vector3<0.0, 0.0, 0.0> @@ -95667,15 +95690,15 @@ Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% -total elapsed time for run: 1.3368110656738281 +total elapsed time for run: 0.73533034324646 done -/tmp/meepakjAzV/test_triangular_lattice-0: 1.34s +/tmp/meepnxUejc/test_triangular_lattice-0: 0.74s -/tmp/meepakjAzV/test_update_band_range_data-0 +/tmp/meepnxUejc/test_update_band_range_data-0 ======================== -/tmp/meepakjAzV/test_update_band_range_data-0: 0.00s +/tmp/meepnxUejc/test_update_band_range_data-0: 0.00s -Elapsed run time = 477.9771 s +Elapsed run time = 273.9771 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_mode_decomposition @@ -95690,23 +95713,23 @@ FAIL: tests/test_multilevel_atom ================================ -Matplotlib created a temporary cache directory at /tmp/matplotlib-nv2lshfy 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-6rzg0cej 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. ----------- Initializing structure... -time for choose_chunkdivision = 3.38554e-05 s +time for choose_chunkdivision = 3.60012e-05 s Working in 1D dimensions. Computational cell is 0 x 0 x 3 with resolution 40 block, center = (0,0,-1) size (1e+20,1e+20,1) axes (1,0,0), (0,1,0), (0,0,1) dielectric constant epsilon diagonal = (2.25,2.25,2.25) -time for set_epsilon = 6.19888e-05 s +time for set_epsilon = 6.31809e-05 s multilevel atom susceptibility ----------- -Meep progress: 2231.5/7000.0 = 31.9% done in 4.0s, 8.5s to go -on time step 178520 (time=2231.5), 2.24067e-05 s/step -Meep progress: 4569.725/7000.0 = 65.3% done in 8.0s, 4.3s to go -on time step 365581 (time=4569.76), 2.13835e-05 s/step +Meep progress: 2979.275/7000.0 = 42.6% done in 4.0s, 5.4s to go +on time step 238342 (time=2979.28), 1.67828e-05 s/step +Meep progress: 5962.462500000001/7000.0 = 85.2% done in 8.0s, 1.4s to go +on time step 477000 (time=5962.5), 1.67604e-05 s/step F ====================================================================== FAIL: test_multilevel_atom (__main__.TestMultiLevelAtom.test_multilevel_atom) @@ -95736,11 +95759,11 @@ AssertionError: -0.04452311652305546 != -2.7110969214986387 within 7 places (2.666573804975583 difference) ---------------------------------------------------------------------- -Ran 1 test in 11.362s +Ran 1 test in 9.396s FAILED (failures=1) -Elapsed run time = 11.3640 s +Elapsed run time = 9.3974 s FAIL tests/test_multilevel_atom.py (exit status: 1) FAIL: tests/test_pml_cyl @@ -95764,11 +95787,11 @@ FAIL: tests/test_ring ===================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-hmjgjpgt 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-pua2nvd1 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. ----------- Initializing structure... Halving computational cell along direction y -time for choose_chunkdivision = 0.000147104 s +time for choose_chunkdivision = 0.000145912 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) @@ -95777,10 +95800,10 @@ cylinder, center = (0,0,0) radius 1, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (1,1,1) -time for set_epsilon = 0.049793 s +time for set_epsilon = 0.025032 s ----------- -Meep: using output directory '/tmp/meep0jQTZi' -creating output file "/tmp/meep0jQTZi/test_ring-eps-000000.00.h5"... +Meep: using output directory '/tmp/meepnEhFQM' +creating output file "/tmp/meepnEhFQM/test_ring-eps-000000.00.h5"... Fharminv0:, frequency, imag. freq., Q, |amp|, amplitude, error harminv0:, 0.11809283891634406, -0.0007452502346727954, 79.23032655480687, 0.003456670970555829, -0.003101645043636964-0.0015259004626664333i, 6.11486569740144e-07+0.0i harminv0:, 0.14717195647548612, -0.00021478968139173544, 342.59549975092267, 0.02815407643858081, 0.018767821724729936+0.020986207085088204i, 3.8067841308090843e-07+0.0i @@ -95789,7 +95812,7 @@ ----------- Initializing structure... Halving computational cell along direction y -time for choose_chunkdivision = 0.000136137 s +time for choose_chunkdivision = 0.000133038 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) @@ -95798,7 +95821,7 @@ cylinder, center = (0,0,0) radius 1, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (1,1,1) -time for set_epsilon = 0.0531769 s +time for set_epsilon = 0.02476 s ----------- /usr/lib/python3/dist-packages/scipy/interpolate/_pade.py:63: LinAlgWarning: Ill-conditioned matrix (rcond=1.59663e-20): result may not be accurate. pq = linalg.solve(C, an) @@ -95813,17 +95836,17 @@ AssertionError: -0.003101645043636964 != -0.00304951667301 within 4 places (5.2128370626963825e-05 difference) ---------------------------------------------------------------------- -Ran 2 tests in 18.833s +Ran 2 tests in 10.283s FAILED (failures=1) -Meep: using output directory '/tmp/meep0jQTZi' +Meep: using output directory '/tmp/meepnEhFQM' harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error harminv0:, 0.11809283891634406, -0.0007452502346727954, 79.23032655480687, 0.003456670970555829, -0.003101645043636964-0.0015259004626664333i, 6.11486569740144e-07+0.0i harminv0:, 0.14717195647548612, -0.00021478968139173544, 342.59549975092267, 0.02815407643858081, 0.018767821724729936+0.020986207085088204i, 3.8067841308090843e-07+0.0i harminv0:, 0.17525084853535935, -4.9430552282103865e-05, 1772.6976580717694, 0.007182845877209669, -0.0007884862844628182-0.007139437251980156i, 7.605658690038468e-07+0.0i run 0 finished at t = 400.0 (8000 timesteps) -Elapsed run time = 19.3651 s +Elapsed run time = 10.4692 s FAIL tests/test_ring.py (exit status: 1) FAIL: tests/test_special_kz @@ -95861,7 +95884,7 @@ 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/aarch64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-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/aarch64-linux-gnu/libmeep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-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/aarch64-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; }; }) @@ -95891,7 +95914,7 @@ 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/aarch64-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' @@ -95903,9 +95926,9 @@ 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/aarch64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-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 aarch64-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 -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -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 aarch64-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 -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/libpympb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-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; }; }) @@ -95925,9 +95948,9 @@ 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 aarch64-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 -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -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 aarch64-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 -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-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; }; }) @@ -95954,9 +95977,9 @@ 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 aarch64-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 -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -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 aarch64-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 -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-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; }; }) @@ -96034,30 +96057,30 @@ diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyLong_AsDouble: 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 PyErr_GivenExceptionMatches: 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 PyErr_Occurred: 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 PyComplex_RealAsDouble: it's probably a plugin +dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) dh_numpy3 make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_installdeb dh_gencontrol dpkg-gencontrol: warning: package libmeep-dev: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined -dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined -dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb -dpkg-deb: building package 'meep' in '../meep_1.29.0-1_arm64.deb'. -dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-1_arm64.deb'. -dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-1_arm64.deb'. -dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-1_arm64.deb'. -dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-1_arm64.deb'. dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-1_arm64.deb'. +dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-1_arm64.deb'. +dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-1_arm64.deb'. +dpkg-deb: building package 'meep' in '../meep_1.29.0-1_arm64.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-1_arm64.deb'. +dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-1_arm64.deb'. +dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-1_arm64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.29.0-1_arm64.buildinfo dpkg-genchanges --build=binary -O../meep_1.29.0-1_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -96065,12 +96088,14 @@ 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/4058663/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/4058663/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/718150 and its subdirectories -I: Current time: Sun Mar 9 13:57:46 -12 2025 -I: pbuilder-time-stamp: 1741571866 +I: removing directory /srv/workspace/pbuilder/4058663 and its subdirectories +I: Current time: Sun Apr 12 23:04:10 +14 2026 +I: pbuilder-time-stamp: 1775984650