lammps-graphene/scripts/circe/lammps_basic.sub

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2020-12-23 22:12:07 +00:00
#!/bin/bash
#$ -N BICRYSTAL_UNITS_RELAX
#$ -S /bin/bash
#$ -l h_rt=23:55:00,cpu_model=E5-2670,pcpus=2
#$ -j y
#$ -cwd
#$ -o output.$JOB_ID
#$ -m abe
#$ -M othoulrich@gmail.com
#script_dir=$( cd $(dirname $0) ; pwd -P |sed 's@^\(.*\)/scripts.*@\1/scripts@')
#mats_dir=$script_dir/../materials/unit_bicrystals
#mkdir $script_dir/../proc
module purge
module load compilers/intel/2013sp1_cluster_xe
time $2 < $3 > $4