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<DIV><FONT face=ΣΧΤ² color=#008000>Hi</FONT><FONT face=ΣΧΤ² color=#008000>every
one!</FONT></DIV>
<DIV><FONT face=ΣΧΤ² color=#008000>I've install the GM without parrel in
/home/gromacs_s that have been linked. So i can run it with "mdrun"
directly. But when i use PBS the errors happened.My pbs script is as
follows.</FONT></DIV>
<DIV><FONT face=ΣΧΤ² color=#008000>#!/bin/sh<BR>###Job name<BR>#PBS -N
test</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=ΣΧΤ² color=#008000>### Output files<BR>#PBS -o test.out<BR>#PBS -e
test.err</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=ΣΧΤ² color=#008000>### Queue name<BR>#PBS -q workq</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=ΣΧΤ² color=#008000>### CPU number<BR>#PBS -l nodes=1:ppn=1<BR>#JRS
-l walltime=2400:00:00</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=ΣΧΤ² color=#008000>### Script Commands<BR>cd
$PBS_O_WORKDIR</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=ΣΧΤ² color=#008000>mdrun<BR>exit 0</FONT></DIV>
<DIV><FONT face=ΣΧΤ² color=#008000></FONT> </DIV>
<DIV><FONT face=ΣΧΤ² color=#008000>But some error happened that is :</FONT></DIV>
<DIV><FONT face=ΣΧΤ² color=#008000>mdrun: error while loading shared libraries:
libXm.so.3: cannot open shared object file: No such file or
directory</FONT></DIV>
<DIV><FONT face=ΣΧΤ² color=#008000></FONT> </DIV>
<DIV><FONT face=ΣΧΤ² color=#008000>how can i fix it !</FONT></DIV>
<DIV><FONT face=ΣΧΤ² color=#008000>thanks all!</FONT></DIV>
<DIV><FONT face=ΣΧΤ² color=#008000></FONT> </DIV>
<DIV> </DIV><FONT face=ΣΧΤ² color=#008000>
<DIV><BR>Χ£ </DIV>
<DIV> </DIV>
<DIV>ΊΓ</DIV>
<DIV> </DIV>
<DIV>*************************************************<BR>Ji
Qing£¨ΌͺΗࣩ<BR>Institute of Chemistry, Chinese Academy of
Sciences<BR>£¨ΦΠΏΖΤΊ»―Ρ§Λω£©<BR>Tel: 0086-10-62562894
£¬82618423<BR>*************************************************</DIV>
<DIV> </DIV>
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