Improve scripts for full K catalogue scans

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

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

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

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()

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

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

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'