From 5e22173316e050b03825b246bd233f0fb6f56f11 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Jean-S=C3=A9bastien?= Date: Tue, 14 Dec 2021 20:48:55 +0100 Subject: [PATCH] Improve scripts for full K catalogue scans --- scripts/catalogue/c_fixed_N_prog_data.sh | 79 +++++++++++++++ scripts/catalogue/c_fixed_N_prog_dsfs.sh | 74 ++++++++++++++ scripts/catalogue/c_fixed_N_prog_plots.sh | 95 ++++++++++++++++++ scripts/catalogue/c_scan_N_fixed_animation.py | 82 ++++++++++++++++ scripts/catalogue/c_scan_N_fixed_data.sh | 94 ++++++++++++++++++ scripts/catalogue/c_scan_N_fixed_dsfs.sh | 96 +++++++++++++++++++ scripts/catalogue/c_scan_N_fixed_plot.sh | 75 +++++++++++++++ 7 files changed, 595 insertions(+) create mode 100755 scripts/catalogue/c_fixed_N_prog_data.sh create mode 100755 scripts/catalogue/c_fixed_N_prog_dsfs.sh create mode 100755 scripts/catalogue/c_fixed_N_prog_plots.sh create mode 100755 scripts/catalogue/c_scan_N_fixed_animation.py create mode 100755 scripts/catalogue/c_scan_N_fixed_data.sh create mode 100755 scripts/catalogue/c_scan_N_fixed_dsfs.sh create mode 100755 scripts/catalogue/c_scan_N_fixed_plot.sh diff --git a/scripts/catalogue/c_fixed_N_prog_data.sh b/scripts/catalogue/c_fixed_N_prog_data.sh new file mode 100755 index 0000000..4c0e4e0 --- /dev/null +++ b/scripts/catalogue/c_fixed_N_prog_data.sh @@ -0,0 +1,79 @@ +#! /bin/zsh + +# We use zsh here to support floats (not supported in bash) + +# This script produces a whole stack of subdirectories, +# for a range of values of c centered on 4 with 8 up/down factors of 2, +# and momenta in range from 0 to nkmax * kF/4. + +# For each c, the LiebLin_Catalogue_Fixed_c_Nscaling +# executable is invoked, which computes up to the highest N possible in the allocated time. + +# This script is restartable: a new run will pick up where a previous left off, +# provided the previous run terminated cleanly. + +if [[ $# -ne 5 ]]; then + echo "Arguments needed: whichDSF, kBT, target_sumrule, nkmax (max momentum in units of kF/4), nr_minutes (for each c value)." + exit 1 +fi + +if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then + echo "Only the d, g and o scanning options are implemented." + exit 1 +fi + +if [[ $2 -lt 0 ]]; then + echo "Temperature kBT must be > 0." + exit 1 +fi + +if [[ $3 -lt 0 || $3 -gt 1 ]]; then + echo "Requirement: 0 < target_sumrule < 1." + exit 1 +fi + +if [[ $4 -lt 0 ]]; then + echo "nkmax must be > 0." + exit 1 +fi + +if [[ $5 -lt 1 ]]; then + echo "Please give a positive nr_minutes." + exit 1 +fi + +zmodload zsh/datetime + +whichDSF=$1 +kBT=$2 +target_sumrule=$3 +nkmax=$4 +nr_minutes=$5 + +correlator='rho-rho' +if [[ $whichDSF == 'o' ]]; then + correlator='psidag-psi' +elif [[ $whichDSF == 'g' ]]; then + correlator='psi-psidag' +fi + +mkdir -p logs +logfile='logs/c_fixed_N_prog_'$whichDSF'_kBT_'$kBT'_sr_'$target_sumrule'_nkmax_'$nkmax'_nr_minutes_'$nr_minutes'_'$(date '+%Y-%m-%d-%Hh%M')'.log' +touch $logfile + +clist=(0.015625 0.03125 0.0625 0.125 0.25 0.5 1 2 4 8 16 32 64 128 256 512 1024) + +basedir="$(pwd)" + +for c in $clist +do + echo '** Starting run for c =' $c | tee -a $logfile + dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_fixed_N_prog/c_'$c'/k_0_to_'${(l:2::0:)nkmax}'kFo4/sr_'$target_sumrule'/prelim' + mkdir -p $dir + cd $dir + LiebLin_Catalogue_Fixed_c_Nscaling $whichDSF $c $nkmax $kBT $target_sumrule 0 $nr_minutes | tee -a $basedir/$logfile + cd $basedir + echo '++ Successfully completed run for c =' $c'.\n' | tee -a $logfile +done + +echo '\n\n++ Successfully completed c_fixed_N_prog_data on '$(date '+%Y-%m-%d-%Hh%M')'.\n' | tee -a $logfile diff --git a/scripts/catalogue/c_fixed_N_prog_dsfs.sh b/scripts/catalogue/c_fixed_N_prog_dsfs.sh new file mode 100755 index 0000000..3aa8f99 --- /dev/null +++ b/scripts/catalogue/c_fixed_N_prog_dsfs.sh @@ -0,0 +1,74 @@ +#! /bin/zsh + +# We use zsh here to support floats (not supported in bash) + +# This script produces the .dsfs files and figures for the `c_fixed_N_prog` runs +# which achieved the required sumrule saturation. + +if [[ $# -ne 5 ]]; then + echo "Arguments needed: whichDSF, kBT, target_sumrule, nkmax (max momentum in units of kF/4), width." + exit 1 +fi + +if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then + echo "Only the d, g and o scanning options are implemented." + exit 1 +fi + +if [[ $2 -lt 0 ]]; then + echo "Temperature kBT must be > 0." + exit 1 +fi + +if [[ $3 -lt 0 || $3 -gt 1 ]]; then + echo "Requirement: 0 < target_sumrule < 1." + exit 1 +fi + +if [[ $4 -lt 0 ]]; then + echo "nkmax must be > 0." + exit 1 +fi + +if [[ $5 -lt 0 ]]; then + echo "width must be > 0." + exit 1 +fi + +whichDSF=$1 +kBT=$2 +target_sumrule=$3 +nkmax=$4 +width=$5 + +correlator='rho-rho' +if [[ $whichDSF == 'o' ]]; then + correlator='psidag-psi' +elif [[ $whichDSF == 'g' ]]; then + correlator='psi-psidag' +fi + +clist=(0.015625 0.03125 0.0625 0.125 0.25 0.5 1 2 4 8 16 32 64 128 256 512 1024) + +basedir="$(pwd)" + +ommin=0 +ommax=$(($nkmax*($nkmax - 8))) # use lower branch of 1ph continuum +Nom=1000 + +for c in $clist +do + echo 'Starting computation of DSFs for c =' $c + dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_fixed_N_prog/c_'$c'/k_0_to_'${(l:2::0:)nkmax}'kFo4/sr_'$target_sumrule'/store/data' + cd $dir + for datadir in * + do + cd $datadir + N=${datadir#"N_"} + iKmax=$(($nkmax * $N/8)) + Smoothen_LiebLin_DSF_Scaled $whichDSF $c $N $N 0 $iKmax $kBT 0 $ommin $ommax $Nom $width + cd .. + done + cd $basedir + echo ' Successfully computed DSFs for c =' $c +done diff --git a/scripts/catalogue/c_fixed_N_prog_plots.sh b/scripts/catalogue/c_fixed_N_prog_plots.sh new file mode 100755 index 0000000..7d560f9 --- /dev/null +++ b/scripts/catalogue/c_fixed_N_prog_plots.sh @@ -0,0 +1,95 @@ +#! /bin/zsh + +# We use zsh here to support floats (not supported in bash) + +# This script produces the .dsfs files and figures for the `c_fixed_N_prog` runs +# which achieved the required sumrule saturation. + +if [[ $# -ne 5 ]]; then + echo "Arguments needed: whichDSF, kBT, target_sumrule, nkmax (max momentum in units of kF/4), width." + exit 1 +fi + +if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then + echo "Only the d, g and o scanning options are implemented." + exit 1 +fi + +if [[ $2 -lt 0 ]]; then + echo "Temperature kBT must be > 0." + exit 1 +fi + +if [[ $3 -lt 0 || $3 -gt 1 ]]; then + echo "Requirement: 0 < target_sumrule < 1." + exit 1 +fi + +if [[ $4 -lt 0 ]]; then + echo "nkmax must be > 0." + exit 1 +fi + +if [[ $5 -lt 0 ]]; then + echo "width must be > 0." + exit 1 +fi + +whichDSF=$1 +kBT=$2 +target_sumrule=$3 +nkmax=$4 +width=$5 + +correlator='rho-rho' +if [[ $whichDSF == 'o' ]]; then + correlator='psidag-psi' +elif [[ $whichDSF == 'g' ]]; then + correlator='psi-psidag' +fi + +clist=(0.015625 0.03125 0.0625 0.125 0.25 0.5 1 2 4 8 16 32 64 128 256 512 1024) + +basedir="$(pwd)" + +ommin=0 +ommax=$(($nkmax*($nkmax - 8))) # use lower branch of 1ph continuum +Nom=1000 + +for c in $clist +do + echo 'Starting plotting of DSFs for c =' $c + dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_fixed_N_prog/c_'$c'/k_0_to_'${(l:2::0:)nkmax}'kFo4/sr_'$target_sumrule'/store/data' + cd $dir + for datadir in * + do + cd $datadir + N=${datadir#"N_"} + mkdir -p ../../plots/N_$N + cd ../../plots/N_$N + # Move all K_, Omega_ and .dsfs files here + mv ../../data/N_$N/K_* . + mv ../../data/N_$N/Omega_* . + mv ../../data/N_$N/*dsfs . + + # Find the K and Omega file + for file in * + do + if [[ $file = Omega* ]]; then + omegafile=$file + elif [[ $file = K_* ]]; then + kfile=$file + fi + done + # For each .dsfs file, plot + for file in *_w_$width.dsfs + do + echo 'Found file ' $file + # invoke the python script + plot_dsf_k_range.py $kfile $omegafile $file + done + cd ../../data + done + cd $basedir + echo ' Successfully computed DSFs for c =' $c +done diff --git a/scripts/catalogue/c_scan_N_fixed_animation.py b/scripts/catalogue/c_scan_N_fixed_animation.py new file mode 100755 index 0000000..c3a9d87 --- /dev/null +++ b/scripts/catalogue/c_scan_N_fixed_animation.py @@ -0,0 +1,82 @@ +#! /usr/bin/env python + +""" +Plot DSF. + +Usage: c_scan_N_fixed_animation.py [N] [width] +""" + +import glob +import matplotlib.pyplot as plt +import matplotlib.animation as animation +import numpy as np +import os +import sys + +N = str(sys.argv[1]) +width = str(sys.argv[2]) + + +# Get the list of interactions which have been computed +dirlist = os.listdir('../../data/N_%s' % N) +clist = sorted([float(c.lstrip('c_')) for c in dirlist]) + +# Get the K file +kfile = glob.glob('../../data/N_%s/c_%s*/K_*' % (N, str(clist[0]).rstrip('.0')[:12]))[0] +k = np.loadtxt(kfile) + +# Get the Omega file +omegafile = glob.glob('../../data/N_%s/c_%s*/Omega*' % (N, str(clist[0]).rstrip('.0')[:12]))[0] +omega = np.loadtxt(omegafile) + +# Load all the available dsfs from the data store +dsfs = {} +for c in clist: + # Do some black magic here: for matching the interaction, + # first try for exact match, stripping '.0' to treat integer values, e.g. 4.0 into 4 + # and then (if it doesn't work) use only the first 12 characters, plus wildcard, to cover rounding errors + try: + dsffile = glob.glob('../../data/N_%s/c_%s/*_w_%s.dsfs' % (N, str(c).rstrip('.0'), width))[0] + except IndexError: + dsffile = glob.glob('../../data/N_%s/c_%s*/*_w_%s.dsfs' % (N, str(c).rstrip('.0')[:12], width))[0] + dsfs[str(c)] = np.loadtxt(dsffile) + +# Read some useful parameters from (last) file name: +elements = dsffile.rpartition('/')[2].split('_') +L = elements[5] +#N = elements[7] +iKmax = elements[14] +width = elements[22].rpartition('.')[0] +# which leads to +rho = int(N)/int(L) + + +fig, ax = plt.subplots() + +# To determine the y axis limits, we look at the lowest value of c (sharpest peak) +dsfsmax = 0.5 + +ymax = omega[-1] +xtext = 0.05 * k[-1] +ytext = 0.9 * ymax + +ax.text(xtext, ytext, f'c = {clist[0]:10.6f}', color='white', fontsize='large') +pcm = ax.pcolormesh(k, omega, dsfs[str(clist[0])], vmax=dsfsmax) +fig.colorbar(pcm, ax=ax) +def animate(i): + ax.clear() + ax.set_title(f'c scan, rho={rho} (N={N}), w={width}', fontsize='x-large') + ax.text(xtext, ytext, f'c = {clist[i]:10.6f}', color='white', fontsize='x-large') + ax.pcolormesh(k, omega, dsfs[str(clist[i])], vmax=dsfsmax) + +ani = animation.FuncAnimation(fig, animate, frames=len(clist), interval=100, repeat=False) + +outfilename = (dsffile.partition('_c_')[0].rpartition('/')[2] + '_c_scan_' + + dsffile.partition('_c_')[2].partition('_')[2].partition('.dsfs')[0]) + +ani.save(outfilename + '.mp4') + +with open(outfilename + '.html', 'w') as file: + file.write(ani.to_html5_video()) + +#plt.show() diff --git a/scripts/catalogue/c_scan_N_fixed_data.sh b/scripts/catalogue/c_scan_N_fixed_data.sh new file mode 100755 index 0000000..1bdb2e5 --- /dev/null +++ b/scripts/catalogue/c_scan_N_fixed_data.sh @@ -0,0 +1,94 @@ +#! /bin/zsh + +# For given N (L), this +# computes the required DSF (up to required sumrule) +# over a range of values of c_int. + +# The data can then be used to produce animated graphs (with c_int evolving), +# see the `c_scan_N_fixed_dsfs[_plot]` scripts. + +if [[ $# -ne 5 ]]; then + echo "Arguments needed: whichDSF, kBT, target_sumrule, N, nkmax (max momentum in units of kF/4)." + exit 1 +fi + +if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then + echo "Only the d, g and o scanning options are implemented." + exit 1 +fi + +if [[ $2 -lt 0 ]]; then + echo "Temperature kBT must be > 0." + exit 1 +fi + +if [[ $3 -lt 0 || $3 -gt 1 ]]; then + echo "Requirement: 0 < target_sumrule < 1." + exit 1 +fi + +if [[ $4 -lt 0 ]]; then + echo "N must be > 0." + exit 1 +fi + +if [[ $5 -lt 0 ]]; then + echo "nkmax must be > 0." + exit 1 +fi + + +whichDSF=$1 +kBT=$2 +target_sumrule=$3 +N=$4 +nkmax=$5 + +correlator='rho-rho' +if [[ $whichDSF == 'o' ]]; then + correlator='psidag-psi' +elif [[ $whichDSF == 'g' ]]; then + correlator='psi-psidag' +fi + +mkdir -p logs +logfile='logs/c_scan_N_fixed_'$whichDSF'_kBT_'$kBT'_sr_'$target_sumrule'_N_'$N'_nkmax_'$nkmax'_'$(date '+%Y-%m-%d-%Hh%M')'.log' +touch $logfile + +iKmax=$(($nkmax * $N/8)) + +Max_Secs=3600 +refine=0 + +# List of interactions: fractional powers of 2 +clist_raw=() +for nc in {-160..160} +do + clist_raw=($clist_raw $(( 2**($nc/16.) ))) +done +# Now cast the integer values to true integers +zmodload zsh/mathfunc +clist=() +for c in $clist_raw +do + if [[ $((floor($c))) == $((ceil($c))) ]]; then + clist=($clist $((int($c)))) + else + clist=($clist $c) + fi +done + +basedir="$(pwd)" + +for c in $clist +do + echo '** Starting run for c =' $c', N = '$N | tee -a $logfile + dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_scan_N_fixed/k_0_to_'${(l:2::0:)nkmax}'kFo4/sr_'$target_sumrule'/store/data/N_'$N'/c_'$c + mkdir -p $dir + cd $dir + LiebLin_DSF $whichDSF $c $N $N 0 $iKmax $kBT $Max_Secs $target_sumrule $refine + cd $basedir + echo '++ Successfully computed DSFs for c =' $c', N = '$N'.\n' | tee -a $logfile +done + +echo '\n\n++ Successfully completed c_scan_N_fixed_data for N = '$N' on '$(date '+%Y-%m-%d-%Hh%M')'.\n' | tee -a $logfile diff --git a/scripts/catalogue/c_scan_N_fixed_dsfs.sh b/scripts/catalogue/c_scan_N_fixed_dsfs.sh new file mode 100755 index 0000000..c5c3201 --- /dev/null +++ b/scripts/catalogue/c_scan_N_fixed_dsfs.sh @@ -0,0 +1,96 @@ +#! /bin/zsh + +# For given N (L) this +# computes the smoothened dsfs and produces the animated figure +# for a `c_scan_N_fixed` run. + +if [[ $# -ne 6 ]]; then + echo "Arguments needed: whichDSF, kBT, target_sumrule, N, nkmax (max momentum in units of kF/4), width." + exit 1 +fi + +if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then + echo "Only the d, g and o scanning options are implemented." + exit 1 +fi + +if [[ $2 -lt 0 ]]; then + echo "Temperature kBT must be > 0." + exit 1 +fi + +if [[ $3 -lt 0 || $3 -gt 1 ]]; then + echo "Requirement: 0 < target_sumrule < 1." + exit 1 +fi + +if [[ $4 -lt 0 ]]; then + echo "N must be > 0." + exit 1 +fi + +if [[ $5 -lt 0 ]]; then + echo "nkmax must be > 0." + exit 1 +fi + +if [[ $6 -lt 0 ]]; then + echo "width must be > 0." + exit 1 +fi + + +whichDSF=$1 +kBT=$2 +target_sumrule=$3 +N=$4 +nkmax=$5 +width=$6 + +correlator='rho-rho' +if [[ $whichDSF == 'o' ]]; then + correlator='psidag-psi' +elif [[ $whichDSF == 'g' ]]; then + correlator='psi-psidag' +fi + +iKmax=$(($nkmax * $N/8)) + +ommin=0 +ommax=$(($nkmax*$nkmax)) # use mid-point between upper and lower branch of 1ph continuum +Nom=1000 + +# store location for these runs +dirstore='Lieb-Liniger/'$correlator'/T_'$kBT'/c_scan_N_fixed/k_0_to_'${(l:2::0:)nkmax}'kFo4/sr_'$target_sumrule'/store' + +# List of interactions: fractional powers of 2 +clist_raw=() +for nc in {-160..160} +do + clist_raw=($clist_raw $(( 2**($nc/16.) ))) +done +# Now cast the integer values to true integers +zmodload zsh/mathfunc +clist=() +for c in $clist_raw +do + if [[ $((floor($c))) == $((ceil($c))) ]]; then + clist=($clist $((int($c)))) + else + clist=($clist $c) + fi +done + +basedir="$(pwd)" + +for c in $clist +do + echo '** Starting computation of DSFs for c =' $c', N = '$N + # First construct the dsfs + +dir=$dirstore'/data/N_'$N'/c_'$c # dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_scan_N_fixed/k_0_to_'${(l:2::0:)nkmax}'kFo4/sr_'$target_sumrule'/store/data/N_'$N'/c_'$c + cd $dir + Smoothen_LiebLin_DSF_Scaled $whichDSF $c $N $N 0 $iKmax $kBT 0 $ommin $ommax $Nom $width + cd $basedir + echo ' Successfully computed DSFs for c =' $c', N = '$N'.\n' +done diff --git a/scripts/catalogue/c_scan_N_fixed_plot.sh b/scripts/catalogue/c_scan_N_fixed_plot.sh new file mode 100755 index 0000000..b42f962 --- /dev/null +++ b/scripts/catalogue/c_scan_N_fixed_plot.sh @@ -0,0 +1,75 @@ +#! /bin/zsh + +# For given N (L) this +# computes the smoothened dsfs and produces the animated figure +# for a `c_scan_N_fixed` run. + +if [[ $# -ne 6 ]]; then + echo "Arguments needed: whichDSF, kBT, target_sumrule, N, nkmax (max momentum in units of kF/4), width." + exit 1 +fi + +if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then + echo "Only the d, g and o scanning options are implemented." + exit 1 +fi + +if [[ $2 -lt 0 ]]; then + echo "Temperature kBT must be > 0." + exit 1 +fi + +if [[ $3 -lt 0 || $3 -gt 1 ]]; then + echo "Requirement: 0 < target_sumrule < 1." + exit 1 +fi + +if [[ $4 -lt 0 ]]; then + echo "N must be > 0." + exit 1 +fi + +if [[ $5 -lt 0 ]]; then + echo "nkmax must be > 0." + exit 1 +fi + +if [[ $6 -lt 0 ]]; then + echo "width must be > 0." + exit 1 +fi + + +whichDSF=$1 +kBT=$2 +target_sumrule=$3 +N=$4 +nkmax=$5 +width=$6 + +correlator='rho-rho' +if [[ $whichDSF == 'o' ]]; then + correlator='psidag-psi' +elif [[ $whichDSF == 'g' ]]; then + correlator='psi-psidag' +fi + +iKmax=$(($nkmax * $N/8)) + +ommin=0 +ommax=$(($nkmax*$nkmax)) # use mid-point between upper and lower branch of 1ph continuum +Nom=1000 + +# store location for these runs +dirstore='Lieb-Liniger/'$correlator'/T_'$kBT'/c_scan_N_fixed/k_0_to_'${(l:2::0:)nkmax}'kFo4/sr_'$target_sumrule'/store' + +basedir="$(pwd)" + +# Now create the animation +echo '** Animating c_scan_N_fixed for N = '$N'...' +dirplots=$dirstore'/plots/N_'$N +mkdir -p $dirplots +cd $dirplots +c_scan_N_fixed_animation.py $N $width +cd $basedir +echo '** Successfully animated c_scan_N_fixed for N = '$N'.\n'