please guide me. Thanks.
the executable bash file is below:
# script for paralle execution
#!/bin/bash
#PBS -S /bin/bash
#PBS -N LAMMPS
#PBS -l nodes=1:ppn=10
#PBS -q batch
#PBS -o $HOME/lammps/lammps.out
#PBS -e $HOME/lammps/lammps.err
#PBS -l walltime=200:00:00
NP=10
######## Running #######
export TOPDIR=/share/users/A_hoseini/LAMMPS/input/Ni/boundary/300K/4
#export LAMMPSPATH=/share/binary/lammps/lammps-28Mar12/src/
export MPIPATH=/share/binary/mpich2-1.4.1p1/bin/
cd $TOPDIR
LAMMPSCONF= Ni.in
$MPIPATH/mpirun -n $NP /share/users/A_hoseini/LAMMPS/source/src/lmp_mpi < $TOPDIR/$LAMMPSCONF &> $TOPDIR/out.$PBS_JOBID.log
Dear Maryam Darvishzadeh
Go to the Shortcut tab, then locate the Target field, which lists the exact location of the file within quotation marks. In the Target text box, place the cursor after the last quotation mark, then add a blank space followed by the command line parameters. All command line parameters are preceded with a hyphen (-)
Kind Regards
Qamar Ul Islam
Qamar Ul Islam
Hello dear Qamar Ul Islam
Thanks for your reply.
but unfortunately, I didn't understand your meaning well. I will be grateful if you guide me using a pic or script.
best regards
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