mc-polymer-simulation/update.sh at master · qubixes/mc-polymer-simulation · GitHub

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#!/bin/bash

. ./scripts/util.sh

NPROC=4
NE_FILE="./scripts/ne_list.dat"

if [ $# -gt 0 ]; then
	NPROC=$1
fi

if [ $# -gt 1 ]; then
	BDIR=$2
else
	BDIR="./data"
fi

DIRS=($BDIR/*/*/);

UPD_DIRS=();
NUPD=0

MERGE_FILES=("cmsdif.dat" "emdif.dat" "mmdif.dat" "smdif.dat" )
LONG_FILES=("slrat.dat" "rgyr.dat" "genom.dat" "ucor.dat" "ucor_avg.dat" "simulation_settings.txt" "pc_avg.dat" "rouse_stat.dat" "rgyr_time.dat" "pc_avg_ss.dat" "magdip.dat" "magdip_time.dat" "magdip_hist.dat" "magdip_hist_time.dat" "cms_dir_mag.dat" "g2dif.dat")
ROUSE_FILES=("ree.dat" "rouse_dyn.dat")
ALL_FILES=(${MERGE_FILES[*]} ${LONG_FILES[*]} ${ROUSE_FILES[*]})


for DIR in ${DIRS[*]}; do

	if [ ! -f "$DIR/t=0_dev=0.res" ]; then
		continue;
	fi

	for FILE in ${ALL_FILES[*]}; do
		if needs_update $DIR/simulation_settings.txt $DIR/$FILE; then
			if needs_update $DIR/simulation_settings.txt $DIR/pol_0/$FILE; then
				UPD_DIRS[NUPD]=$DIR
				let "NUPD++"
				echo "$DIR $FILE"
				break
			fi
		fi
	done
done
# exit 0

for DIR in ${UPD_DIRS[*]}; do
	./bin/create_ptl $DIR || exit $?
done

I=0
# echo ${DIRS[*]}
# exit 0
for DIR in ${UPD_DIRS[*]}; do
	ARGS[2*I]=$DIR
	ARGS[2*I+1]=$NE_FILE
	let "I++"
done

# echo ${ARGS[*]} | xargs -n 2 -P $NPROC ./bin/lowm_modes
# echo ${ARGS[*]} | xargs -n 2 -P 1 ./bin/lowm_modes
#wait
# exit 0

parallel -j $NPROC ./bin/lowm_modes ::: ${UPD_DIRS[*]} ::: $NE_FILE
# parallel -j 1 ./bin/lowm_modes ::: ${UPD_DIRS[*]} ::: $NE_FILE

for DIR in ${UPD_DIRS[*]}; do
	if needs_update $DIR/shearmod.dat $DIR/shearmod_avg.dat; then
		./bin/avg_data $DIR/shearmod.dat > $DIR/shearmod_avg.dat || echo "Failed: $DIR"
	fi
	if needs_update $DIR/ucor.dat $DIR/ucor_avg.dat; then
		./bin/avg_data $DIR/ucor.dat 0 > $DIR/ucor_avg.dat || echo "Failed: $DIR"
	fi

# 	if [ -f $DIR/pc.dat -a ! $DIR/pc_point.dat -nt $DIR/pc.dat ]; then
# 		./scripts/plot_2d_pc.sh $DIR/pc.dat || echo "Failed: $DIR"
# 	fi
# 	if [ -f $DIR/pc_point.dat -a ! $DIR/dr.dat -nt $DIR/pc_point.dat ]; then
# 		echo "./bin/localization $DIR/pc_point.dat > $DIR/dr.dat"
# 		./bin/localization $DIR/pc_point.dat > $DIR/dr.dat || echo "Failed: $DIR"
# 	fi

# 	if [ -f $DIR/pc_point.dat -a ! $DIR/pc_avg.dat -nt $DIR/pc_point.dat ]; then
# 		./scripts/get_pc_avg.sh $DIR/pc_point.dat > $DIR/pc_avg.dat || echo "Failed: $DIR, pc avging"
# 	fi
done

# for DIR in ${UPD_DIRS[*]}; do
# 	./bin/create_cms $DIR || exit $?
# done

# if [ "${UPD_DIRS[*]}" != "" ]; then
# 	parallel -j $NPROC ./bin/cms_cor ::: ${UPD_DIRS[*]}
# fi

BASE_DIRS=(`echo $BDIR/*{gpupol,denspol}*`);


for DIR in ${BASE_DIRS[*]}; do
	for FILE in ${ALL_FILES[*]}; do
		if [ -d $DIR/long -a -f $DIR/long/$FILE ]; then
			cp $DIR/long/$FILE $DIR
		fi
	done
done

for DIR in ${BASE_DIRS[*]}; do
	SH_DIR=($DIR/short*)
	LN_DIR=($DIR/long*)
# 	echo $SH_DIR $LN_DIR
	if [ ! -d $SH_DIR -o ! -d $LN_DIR ]; then continue; fi
	if [ ! -f $LN_DIR/simulation_settings.txt ]; then continue; fi

	for FILE in ${MERGE_FILES[*]}; do
		./bin/merge_tseries {$SH_DIR,$LN_DIR}/$FILE > $DIR/$FILE || echo "Failed $FILE"
	done

	for FILE in ${ROUSE_FILES[*]}; do
		./bin/merge_tseries {$SH_DIR,$LN_DIR}/$FILE 1 > $DIR/$FILE || echo "Failed $FILE"
	done
done