[gmx-users] gromacs and cluster

[主月 ：）]

Hi:
I've already installed GROMACS on the main node of my cluster(RH 9.0 OSCAR). And using the model in \share i can run md successfully. But with the pbsscript bellow the error came that is "qsub :directive error ...". How can i fix it. Thanks


#!/bin/sh
### Job name
#PBS  -N  pbsjob
### Output files
#PBS ¨Co pbsjob.out
#PBS ¨Ce pbsjob.err
### Queue name
#PBS ¨Cq workq
###CPU number
#PBS  -l nodes=2:ppn=2
### Script command
Cd  $PBS_O_WORKDIR
Lamboot $PBS_NODEFILE
mpirun C  mdrun
Lamhalt
exit 0




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Ji Qing£¨¼ªÇࣩ
Institute of Chemistry, Chinese Academy of Sciences
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Tel: 0086-10-62562894  £¬82618423
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