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submit_abe_all.sh
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Sun, Sep 15, 03:41
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text/x-shellscript
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Tue, Sep 17, 03:41 (2 d)
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rLAMMPS lammps
submit_abe_all.sh
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#!/bin/sh
#PBS -A <project>
#PBS -q normal
#PBS -N wat-all
#PBS -l nodes=16:ppn=8
#PBS -j oe
#PBS -l walltime=03:00:00
set -v
set -x
cd $PBS_O_WORKDIR
mpirun=/usr/local/openmpi-1.3.2-gnu/bin/mpirun
$mpirun -npernode 7 -x OMP_NUM_THREADS=1 ./lmp_abe -in in.wat-cpu -var num 10 -log log.wat-cpu-7m1t
$mpirun -npernode 7 -x OMP_NUM_THREADS=1 ./lmp_abe -in in.wat-omp -var num 10 -log log.wat-omp-7m1t
$mpirun -npernode 4 -x OMP_NUM_THREADS=1 ./lmp_abe -in in.wat-cpu -var num 10 -log log.wat-cpu-4m1t
$mpirun -npernode 4 -x OMP_NUM_THREADS=2 ./lmp_abe -in in.wat-omp -var num 10 -log log.wat-omp-4m2t
$mpirun -npernode 2 -x OMP_NUM_THREADS=1 ./lmp_abe -in in.wat-cpu -var num 10 -log log.wat-cpu-2m1t
$mpirun -npernode 2 -x OMP_NUM_THREADS=4 ./lmp_abe -in in.wat-omp -var num 10 -log log.wat-omp-2m4t
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