Add scripts and functions for catalogue over k range
Этот коммит содержится в:
Jean-Sébastien
родитель
9276bc8008
Коммит
25f4b1ac28
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@ -50,7 +50,7 @@ elif [[ $whichDSF == 'g' ]]; then
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fi
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mkdir -p logs
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logfile='logs/run_'$whichDSF'_kBT_'$kBT'_sr_'$target_sumrule'_'$(date '+%Y-%m-%d-%Hh%M')'.log'
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logfile='logs/run_'$whichDSF'_kBT_'$kBT'_k_fixed_sr_'$target_sumrule'_'$(date '+%Y-%m-%d-%Hh%M')'.log'
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touch $logfile
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clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
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@ -52,25 +52,32 @@ do
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dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_fixed/c_'$c'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule'/store/plots'
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mkdir -p $dir
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cd $dir
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# Move all K_, Omega_ and .dsfs files to the plots directory
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mv ../data/*/K_* .
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mv ../data/*/Omega_* .
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mv ../data/*/*dsfs .
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dirlist="$(ls)"
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# Find the Omega file
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for file in *
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for datadir in ../data/*
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do
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if [[ $file = Omega* ]]; then
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omegafile=$file
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fi
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done
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echo 'Omega file: ' $omegafile
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# For each .dsfs file, plot
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for file in *.dsfs
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do
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echo 'Found file ' $file
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# invoke the python script
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plot_dsf_k_fixed.py $omegafile $file
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N=${datadir#"../data/N_"}
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mkdir -p 'N_'$N
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cd 'N_'$N
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# Move all K_, Omega_ and .dsfs files here
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mv ../../data/N_$N/K_* .
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mv ../../data/N_$N/Omega_* .
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mv ../../data/N_$N/*dsfs .
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# Find the K and Omega file
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for file in *
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do
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if [[ $file = Omega* ]]; then
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omegafile=$file
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fi
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done
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# For each .dsfs file, plot
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for file in *.dsfs
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do
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echo 'Found file ' $file
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# invoke the python script
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plot_dsf_k_fixed.py $omegafile $file
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done
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cd ..
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done
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cd $basedir
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@ -0,0 +1,76 @@
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#! /bin/zsh
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# We use zsh here to support floats (not supported in bash)
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# This script produces a whole stack of subdirectories,
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# for a range of values of c centered on 4 with 8 up/down factors of 2,
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# and momenta in range from 0 to 4kF.
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# For each c, the LiebLin_Catalogue_Fixed_c_Nscaling
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# executable is invoked.
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if [[ $# -ne 5 ]]; then
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echo "Arguments needed: whichDSF, kBT, target_sumrule, nkmax (max momentum in units of kF/4), nr_minutes (for each c value)."
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exit 1
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fi
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if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then
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echo "Only the d, g and o scanning options are implemented."
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exit 1
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fi
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if [[ $2 -lt 0 ]]; then
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echo "Temperature kBT must be > 0."
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exit 1
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fi
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if [[ $3 -lt 0 || $3 -gt 1 ]]; then
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echo "Requirement: 0 < target_sumrule < 1."
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exit 1
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fi
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if [[ $4 -lt 0 ]]; then
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echo "nkmax must be > 0."
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exit 1
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fi
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if [[ $5 -lt 1 ]]; then
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echo "Please give a positive nr_minutes."
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exit 1
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fi
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zmodload zsh/datetime
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whichDSF=$1
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kBT=$2
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target_sumrule=$3
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nkmax=$4
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nr_minutes=$5
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correlator='rho-rho'
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if [[ $whichDSF == 'o' ]]; then
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correlator='psidag-psi'
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elif [[ $whichDSF == 'g' ]]; then
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correlator='psi-psidag'
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fi
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mkdir -p logs
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logfile='logs/run_'$whichDSF'_kBT_'$kBT'_k_range_sr_'$target_sumrule'_'$(date '+%Y-%m-%d-%Hh%M')'.log'
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touch $logfile
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clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
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basedir="$(pwd)"
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for c in $clist
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do
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echo '** Starting run for c =' $c | tee -a $logfile
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dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_fixed/c_'$c'/k_range/k_0_to_'$nkmax'kFo4/sr_'$target_sumrule'/prelim'
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mkdir -p $dir
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cd $dir
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LiebLin_Catalogue_Fixed_c_Nscaling $whichDSF $c $nkmax $kBT $target_sumrule 0 $nr_minutes | tee -a $basedir/$logfile
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cd $basedir
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echo '** Successfully completed run for c =' $c', kfact = '$nk'.\n' | tee -a $logfile
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done
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@ -0,0 +1,74 @@
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#! /bin/zsh
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# We use zsh here to support floats (not supported in bash)
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# This script produces the .dsfs files for the runs from `build_LiebLin_catalogue_k_range`
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# runs which achieved the required sumrule saturation.
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if [[ $# -ne 5 ]]; then
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echo "Arguments needed: whichDSF, kBT, target_sumrule, nkmax (max momentum in units of kF/4), width."
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exit 1
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fi
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if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then
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echo "Only the d, g and o scanning options are implemented."
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exit 1
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fi
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if [[ $2 -lt 0 ]]; then
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echo "Temperature kBT must be > 0."
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exit 1
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fi
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if [[ $3 -lt 0 || $3 -gt 1 ]]; then
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echo "Requirement: 0 < target_sumrule < 1."
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exit 1
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fi
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if [[ $4 -lt 0 ]]; then
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echo "nkmax must be > 0."
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exit 1
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fi
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if [[ $5 -lt 0 ]]; then
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echo "width must be > 0."
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exit 1
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fi
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whichDSF=$1
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kBT=$2
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target_sumrule=$3
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nkmax=$4
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width=$5
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correlator='rho-rho'
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if [[ $whichDSF == 'o' ]]; then
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correlator='psidag-psi'
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elif [[ $whichDSF == 'g' ]]; then
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correlator='psi-psidag'
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fi
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clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
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basedir="$(pwd)"
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ommin=0
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ommax=$(($nkmax*($nkmax - 8))) # use lower branch of 1ph continuum
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Nom=1000
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for c in $clist
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do
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echo 'Starting computation of DSFs for c =' $c
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dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_fixed/c_'$c'/k_range/k_0_to_'${(l:2::0:)nkmax}'kFo4/sr_'$target_sumrule'/store/data'
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cd $dir
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for datadir in *
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do
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cd $datadir
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N=${datadir#"N_"}
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iKmax=$(($nkmax * $N/8))
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Smoothen_LiebLin_DSF_Scaled $whichDSF $c $N $N 0 $iKmax $kBT 0 $ommin $ommax $Nom $width
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cd ..
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done
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cd $basedir
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echo ' Successfully computed DSFs for c =' $c
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done
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@ -0,0 +1,95 @@
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#! /bin/zsh
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# We use zsh here to support floats (not supported in bash)
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# This script produces the plots for the runs from `build_LiebLin_catalogue_k_range`
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# runs which achieved the required sumrule saturation.
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if [[ $# -ne 5 ]]; then
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echo "Arguments needed: whichDSF, kBT, target_sumrule, nkmax (max momentum in units of kF/4), width."
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exit 1
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fi
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if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then
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echo "Only the d, g and o scanning options are implemented."
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exit 1
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fi
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if [[ $2 -lt 0 ]]; then
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echo "Temperature kBT must be > 0."
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exit 1
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fi
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if [[ $3 -lt 0 || $3 -gt 1 ]]; then
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echo "Requirement: 0 < target_sumrule < 1."
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exit 1
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fi
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if [[ $4 -lt 0 ]]; then
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echo "nkmax must be > 0."
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exit 1
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fi
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if [[ $5 -lt 0 ]]; then
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echo "width must be > 0."
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exit 1
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fi
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whichDSF=$1
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kBT=$2
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target_sumrule=$3
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nkmax=$4
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width=$5
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correlator='rho-rho'
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if [[ $whichDSF == 'o' ]]; then
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correlator='psidag-psi'
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elif [[ $whichDSF == 'g' ]]; then
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correlator='psi-psidag'
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fi
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clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
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basedir="$(pwd)"
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for c in $clist
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do
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echo '** Starting plotting of DSFs for c =' $c
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dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_fixed/c_'$c'/k_range/k_0_to_'${(l:2::0:)nkmax}'kFo4/sr_'$target_sumrule'/store/plots'
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mkdir -p $dir
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cd $dir
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for datadir in ../data/*
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do
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N=${datadir#"../data/N_"}
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mkdir -p 'N_'$N
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cd 'N_'$N
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# Move all K_, Omega_ and .dsfs files here
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mv ../../data/N_$N/K_* .
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mv ../../data/N_$N/Omega_* .
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mv ../../data/N_$N/*dsfs .
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# Find the K and Omega file
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for file in *
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do
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if [[ $file = Omega* ]]; then
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omegafile=$file
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elif [[ $file = K_* ]]; then
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kfile=$file
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fi
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done
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# For each .dsfs file, plot
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for file in *.dsfs
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do
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echo 'Found file ' $file
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# invoke the python script
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plot_dsf_k_range.py $kfile $omegafile $file
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done
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cd ..
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done
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cd $basedir
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echo '** Successfully plotted DSFs for c =' $c'.\n'
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done
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@ -0,0 +1,39 @@
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#! /usr/bin/env python
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"""
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Plot DSF.
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Usage: python plot_dsf_k_range.py [k file] [omega file] [dsf file]
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"""
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import matplotlib.pyplot as plt
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import numpy as np
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import sys
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kfile = str(sys.argv[1])
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omegafile = str(sys.argv[2])
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dsffile = str(sys.argv[3])
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k = np.loadtxt(kfile)
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omega = np.loadtxt(omegafile)
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dsf = np.loadtxt(dsffile)
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dsfsmax = 0.5
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plt.pcolormesh(k, omega, dsf, vmax=dsfsmax)
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plt.colorbar()
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plt.xlabel('$k$')
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plt.ylabel('$\omega$')
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elements = dsffile.split('_')
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c_int = elements[3]
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L = elements[5]
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N = elements[7]
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width = elements[22].partition('.')[0]
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rho = int(N)/int(L)
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plt.title(f'c={c_int}, rho={rho} (N={N}), w={width}')
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plt.savefig(dsffile.replace('.', '_') + '.png')
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@ -0,0 +1,142 @@
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/**********************************************************
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This software is part of J.-S. Caux's ABACUS library.
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Copyright (c) J.-S. Caux.
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-----------------------------------------------------------
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File: LiebLin_Catalogue_Fixed_c_Nscaling.cc
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Purpose: Produces sets of data files for correlations, increasing system size at fixed c.
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***********************************************************/
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#include <omp.h>
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#include "ABACUS.h"
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using namespace std;
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using namespace ABACUS;
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int main(int argc, char* argv[])
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{
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if (argc != 8) { // provide some info
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cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl;
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cout << endl << "Usage of LiebLin_Catalogue_Fixed_c_k_Nscaling executable: " << endl;
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cout << endl << "Provide the following arguments:" << endl << endl;
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cout << "char whichDSF \t\t Which structure factor should be calculated ? Options are: "
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"d for rho rho, g for psi psi{dagger}, o for psi{dagger} psi" << endl;
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cout << "DP c_int \t\t Value of the interaction parameter: use positive real values only" << endl;
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cout << "int kfactmax \t\t max momentum factor: max momentum will be set to kfact * kF/4" << endl;
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cout << "DP kBT \t\t Temperature (positive only of course)" << endl;
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cout << "DP target_sumrule \t sumrule saturation you're satisfied with" << endl;
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cout << "int Hrs \t\t Allowed computational time (hours)" << endl;
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cout << "int Mns \t\t Allowed computational time (minutes)" << endl;
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}
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else { // correct nr of arguments
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int ia = 1;
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char whichDSF = *argv[ia++];
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DP c_int = atof(argv[ia++]);
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int kfact = atoi(argv[ia++]);
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DP kBT = atof(argv[ia++]);
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DP target_sumrule = atof(argv[ia++]);
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int Max_Secs = 3600*atoi(argv[ia++]) + 60*atoi(argv[ia++]);
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double StartTime = omp_get_wtime();
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double ActualTime = omp_get_wtime();
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int Secs_left = Max_Secs;
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int iN = 0;
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int nN = 16;
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Vect<int> Nv(nN);
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// Multiples of 32 up to 256
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for (int i = 1; i <= 8; ++i) Nv[i-1] = 32*i;
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// Then steps of 64 up to 512
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for (int i = 1; i <= 4; ++i) Nv[7+i] = 256 + 64*i;
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// Then steps of 128 up to 1024
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for (int i = 1; i <= 4; ++i) Nv[11+i] = 512 + 128*i;
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for (int iN = 0; iN < nN; ++iN) {
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int N = Nv[iN];
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DP L = N;
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int iKmin = 0;
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int iKmax = (kfact * N)/8;
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DP srsat = 0.0;
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bool refine = false;
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stringstream SRC_stringstream; string SRC_string;
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Data_File_Name (SRC_stringstream, whichDSF, c_int, L, N, iKmin, iKmax, kBT, 0.0, "");
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SRC_stringstream << ".src";
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SRC_string = SRC_stringstream.str(); const char* SRC_Cstr = SRC_string.c_str();
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fstream srcfile;
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srcfile.open(SRC_Cstr, fstream::in);
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if (srcfile.fail()) {
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srsat = 0.0;
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refine = false;
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}
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else {
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srcfile >> srsat;
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refine = true;
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}
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srcfile.close();
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ActualTime = omp_get_wtime();
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Secs_left = int(Max_Secs - (ActualTime - StartTime));
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Scan_Info resulting_info;
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if (srsat < target_sumrule && Secs_left > Max_Secs/2) {
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// Improve the icmin calculation by one chunk:
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cout << "---\nTime left = " << Secs_left << " seconds." << endl;
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if (srsat > 0) {
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cout << "Continue with N = " << N << ". Sumrule previously achieved: " << srsat << endl;
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} else {
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cout << "Start with N = " << N << "." << endl;
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}
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resulting_info = Scan_LiebLin (whichDSF, c_int, L, N, iKmin, iKmax, kBT,
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Secs_left, target_sumrule, refine);
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cout << "Done with N = " << N
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<< ". Sumrule obtained: " << resulting_info.sumrule_obtained
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<< endl;
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}
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if (resulting_info.sumrule_obtained > target_sumrule) {
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// Move files to storage, keeping a copy of the .src file in the current directory
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string command1 = "mkdir -p ../store/data/N_" + to_string(N);
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system(command1.c_str());
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string command2 = "mv *_N_" + to_string(N) + "* ../store/data/N_" + to_string(N) + "/";
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system(command2.c_str());
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string command3 = "cp ../store/data/N_" + to_string(N) + "/*src .";
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system(command3.c_str());
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}
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ActualTime = omp_get_wtime();
|
||||
|
||||
Secs_left = int(Max_Secs - (ActualTime - StartTime));
|
||||
|
||||
if (Secs_left < 30) {
|
||||
if (resulting_info.sumrule_obtained > target_sumrule) {
|
||||
cout << "---\nBreaking out after completing N = " << N
|
||||
<< " since time left = " << Secs_left << " seconds." << endl;
|
||||
}
|
||||
else {
|
||||
cout << "---\nBreaking out while working on N = " << N
|
||||
<< " since allocated time is exhausted." << endl;
|
||||
}
|
||||
break;
|
||||
}
|
||||
|
||||
} // while there is time
|
||||
|
||||
} // else if arguments given OK
|
||||
|
||||
return(0);
|
||||
}
|
||||
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Ссылка в новой задаче