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<DIV><FONT face=楷体_GB2312 color=#008000>Hi:</FONT></DIV>
<DIV><FONT face=楷体_GB2312 color=#008000>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</FONT></DIV>
<DIV><FONT face=楷体_GB2312 color=#008000></FONT> </DIV>
<DIV> </DIV>
<DIV><FONT face=楷体_GB2312 color=#008000>#!/bin/sh<BR>### Job name<BR>#PBS
-N pbsjob<BR>### Output files<BR>#PBS –o pbsjob.out<BR>#PBS –e
pbsjob.err<BR>### Queue name<BR>#PBS –q workq<BR>###CPU number<BR>#PBS -l
nodes=2:ppn=2<BR>### Script command<BR>Cd $PBS_O_WORKDIR<BR>Lamboot
$PBS_NODEFILE<BR>mpirun C mdrun</FONT></DIV>
<DIV><FONT face=楷体_GB2312 color=#008000>Lamhalt<BR>exit 0</FONT></DIV>
<DIV><FONT face=楷体_GB2312 color=#008000></FONT> </DIV>
<DIV><FONT face=楷体_GB2312 color=#008000></FONT> </DIV>
<DIV> </DIV><FONT face=楷体_GB2312 color=#008000>
<DIV><BR>祝 </DIV>
<DIV> </DIV>
<DIV>好</DIV>
<DIV> </DIV>
<DIV>*************************************************<BR>Ji
Qing（吉青）<BR>Institute of Chemistry, Chinese Academy of
Sciences<BR>（中科院化学所）<BR>Tel: 0086-10-62562894
，82618423<BR>*************************************************</DIV>
<DIV> </DIV>
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