SMASH
Large-Scale Parallel Computing Server
以下のバージョンが利用可能です。
バージョン | 実行モジュールのパス |
---|---|
2.2.0 | /work/app/SMASH/current |
3.0.0 | /work/app/SMASH/smash3.0.0 |
Create a script file in advance.
#!/bin/sh #PBS -l select=nodes #PBS -q queue #PBS -N jobname DIRNAME=`basename $PBS_O_WORKDIR` WORKDIR=/work/$USER/$PBS_JOBID mkdir -p $WORKDIR cp -raf $PBS_O_WORKDIR $WORKDIR cd $WORKDIR/$DIRNAME aprun [ -n MPI total tasks ][ -N MPI tasks per node ] -j 1 /work/app/SMASH/current/bin/smash < input file > output file 2> error file cd; if cp -raf $WORKDIR/$DIRNAME $PBS_O_WORKDIR/.. ; then rm -rf $WORKDIR; fi
(Example)
#!/bin/sh #PBS -l select=1 #PBS -q P_016 #PBS -N smash DIRNAME=`basename $PBS_O_WORKDIR` WORKDIR=/work/$USER/$PBS_JOBID mkdir -p $WORKDIR cp -raf $PBS_O_WORKDIR $WORKDIR cd $WORKDIR/$DIRNAME aprun -n 36 -N 36 -j 1 /work/app/SMASH/current/bin/smash < mp2-energy.inp > mp2-energy.out 2> mp2-energy.err cd; if cp -raf $WORKDIR/$DIRNAME $PBS_O_WORKDIR/.. ; then rm -rf $WORKDIR; fi