Ceci est une ancienne révision du document !
#!/bin/bash # #$ -S /bin/bash #$ -N C6_equilibration3 ##$ -q E5-2670deb128B #$ -q E5_test #$ -pe test_debian 2 #$ -cwd #$ -V #$ -m be module purge module use /home/tjiang/modules/lmod module load lammps/trunk # donné par le système de batch HOSTFILE=${TMPDIR}/machines if [[ -d "/scratch" ]] then ### for Lake scratch / CLG* SLG* queues if [[ -e "/scratch/Lake/lake-gfs-scratch" ]] then SCRATCHDIR=/scratch/Lake/$USER/$JOB_ID/ ### for E5N scratch / E5* queues elif [[ -e "/scratch/E5N/E5N-gfs-scratch" ]] then SCRATCHDIR=/scratch/E5N/$USER/$JOB_ID/ ### for Chimie scratch elif [[ -e "/scratch/Chimie/chimie-gfs-scratch" ]] then SCRATCHDIR=/scratch/Chimie/$USER/$JOB_ID/ else echo "/scratch not found, cannot create ${SCRATCHDIR}" exit 1 fi else echo "/scratch not found, cannot create ${SCRATCHDIR}" exit 1 fi # Using /tmp as scratch instead # SCRATCHDIR=/tmp/$USER/$JOB_ID/ echo $SCRATCHDIR /bin/mkdir -p $SCRATCHDIR # modifier les noms des fichiers cd ${SGE_O_WORKDIR} cp -f in*.lmp data*.lmp ${SCRATCHDIR}/ # modifier noms des fichiers cd ${SCRATCHDIR} mpirun -v -hostfile ${HOSTFILE} -np ${NSLOTS} lammps.sse -in in.eq.lmp > out.lmp cp -rpf * ${SGE_O_WORKDIR}/ rm -f ${SCRATCHDIR}/