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submit_kraken_all.sh
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Sun, Feb 2, 08:20
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Tue, Feb 4, 08:20 (2 d)
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rLAMMPS lammps
submit_kraken_all.sh
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#!/bin/sh
#PBS -A <project>
#PBS -N lj-all
#PBS -l size=384
#PBS -j oe
#PBS -l walltime=01:00:00
#PBS
set -v
set -x
cd $PBS_O_WORKDIR
n=`expr $PBS_NNODES / 12`
s=1
m=`expr 2 \* $s`
t=`expr 12 / $m`
size=`expr $n \* $m`
env OMP_NUM_THREADS=$t aprun -n $size -S $s -d $t ./lmp_kraken -in in.lj-cpu -var len 66.0 -log log.lj-cpu-${s}m${t}t
env OMP_NUM_THREADS=$t aprun -n $size -S $s -d $t ./lmp_kraken-omp -in in.lj-omp -var len 66.0 -log log.lj-omp-${s}m${t}t
s=2
m=`expr 2 \* $s`
t=`expr 12 / $m`
size=`expr $n \* $m`
env OMP_NUM_THREADS=$t aprun -n $size -S $s -d $t ./lmp_kraken -in in.lj-cpu -var len 66.0 -log log.lj-cpu-${s}m${t}t
env OMP_NUM_THREADS=$t aprun -n $size -S $s -d $t ./lmp_kraken-omp -in in.lj-omp -var len 66.0 -log log.lj-omp-${s}m${t}t
s=3
m=`expr 2 \* $s`
t=`expr 12 / $m`
size=`expr $n \* $m`
env OMP_NUM_THREADS=$t aprun -n $size -S $s -d $t ./lmp_kraken -in in.lj-cpu -var len 66.0 -log log.lj-cpu-${s}m${t}t
env OMP_NUM_THREADS=$t aprun -n $size -S $s -d $t ./lmp_kraken-omp -in in.lj-omp -var len 66.0 -log log.lj-omp-${s}m${t}t
s=6
m=`expr 2 \* $s`
t=`expr 12 / $m`
size=`expr $n \* $m`
env OMP_NUM_THREADS=$t aprun -n $size -S $s -d $t ./lmp_kraken -in in.lj-cpu -var len 66.0 -log log.lj-cpu-${s}m${t}t
env OMP_NUM_THREADS=$t aprun -n $size -S $s -d $t ./lmp_kraken-omp -in in.lj-omp -var len 66.0 -log log.lj-omp-${s}m${t}t
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