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<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>It says the program needs xfig library
which is missing here.<o:p></o:p></span></font></p>

<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>One way is to recompile your gromacs code
with the switch <o:p></o:p></span></font></p>

<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>&#8211;-without-X<o:p></o:p></span></font></p>

<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'><o:p>&nbsp;</o:p></span></font></p>

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<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>Dr. Yuguang Mu</span></font><font
color=navy><span style='color:navy'><o:p></o:p></span></font></p>

<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>Division of Structural and Computational
Biology</span></font><font color=navy><span style='color:navy'><o:p></o:p></span></font></p>

<p class=MsoNormal><st1:place w:st="on"><st1:PlaceType w:st="on"><font size=2
  color=navy face=Arial><span style='font-size:10.0pt;font-family:Arial;
  color:navy'>School</span></font></st1:PlaceType><font size=2 color=navy
 face=Arial><span style='font-size:10.0pt;font-family:Arial;color:navy'> of <st1:PlaceName
 w:st="on">Biological</st1:PlaceName></span></font></st1:place><font size=2
color=navy face=Arial><span style='font-size:10.0pt;font-family:Arial;
color:navy'> Sciences</span></font><font color=navy><span style='color:navy'><o:p></o:p></span></font></p>

<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>Nanyang Technological University</span></font><font
color=navy><span style='color:navy'><o:p></o:p></span></font></p>

<p class=MsoNormal><st1:Street w:st="on"><st1:address w:st="on"><font size=2
  color=navy face=Arial><span style='font-size:10.0pt;font-family:Arial;
  color:navy'>60 Nanyang Drive</span></font></st1:address></st1:Street><font
size=2 color=navy face=Arial><span style='font-size:10.0pt;font-family:Arial;
color:navy'> </span></font><font color=navy><span style='color:navy'><o:p></o:p></span></font></p>

<p class=MsoNormal><st1:country-region w:st="on"><st1:place w:st="on"><font
  size=2 color=navy face=Arial><span style='font-size:10.0pt;font-family:Arial;
  color:navy'>Singapore</span></font></st1:place></st1:country-region><font
size=2 color=navy face=Arial><span style='font-size:10.0pt;font-family:Arial;
color:navy'> 637551</span></font><font color=navy><span style='color:navy'><o:p></o:p></span></font></p>

<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>Tel: 63162885</span></font><font
color=navy><span style='color:navy'><o:p></o:p></span></font></p>

<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>Fax: 67913856</span></font><font
color=navy><span style='color:navy'><o:p></o:p></span></font></p>

<p class=MsoNormal><font size=3 color=navy face=$BAWBN(J><span style='font-size:12.0pt;
color:navy'>&nbsp;</span></font><o:p></o:p></p>

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face=$BAWBN(J><span style='font-size:12.0pt'>

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<p class=MsoNormal><b><font size=2 face=Tahoma><span style='font-size:10.0pt;
font-family:Tahoma;font-weight:bold'>From:</span></font></b><font size=2
face=Tahoma><span style='font-size:10.0pt;font-family:Tahoma'>
gmx-users-bounces@gromacs.org [mailto:gmx-users-bounces@gromacs.org] <b><span
style='font-weight:bold'>On Behalf Of </span></b></span></font><font size=2><span
lang=ZH-CN style='font-size:10.0pt'>$B<g7n(J</span></font><font size=2 face=Tahoma><span
lang=ZH-CN style='font-size:10.0pt;font-family:Tahoma'> </span></font><font
size=2><span lang=ZH-CN style='font-size:10.0pt'>$B!'!K(J</span></font><font size=2
face=Tahoma><span style='font-size:10.0pt;font-family:Tahoma'><br>
<b><span style='font-weight:bold'>Sent:</span></b> Monday, December 12, 2005
11:42 AM<br>
<b><span style='font-weight:bold'>To:</span></b> gmx-users@gromacs.org<br>
<b><span style='font-weight:bold'>Subject:</span></b> [gmx-users] PBS</span></font><o:p></o:p></p>

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<p class=MsoNormal><font size=3 face=$BAWBN(J><span style='font-size:12.0pt'><o:p>&nbsp;</o:p></span></font></p>

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<p class=MsoNormal><font size=3 face=$BAWBN(J><span style='font-size:12.0pt'>Hi every
one!<br>
I've install the GM without parrel in /home/gromacs_s that have been linked. So
i can run it with &quot;mdrun&quot; on main node directly. But when i use PBS
the errors happened.My pbs script is as follows.<br>
#!/bin/sh<br>
###Job name<br>
#PBS -N test<br>
<br>
### Output files<br>
#PBS -o test.out<br>
#PBS -e test.err<br>
<br>
### Queue name<br>
#PBS -q workq<br>
<br>
### CPU number<br>
#PBS -l nodes=1:ppn=1<br>
#JRS -l walltime=2400:00:00<br>
<br>
### Script Commands<br>
cd $PBS_O_WORKDIR<br>
<br>
mdrun<br>
exit 0<br>
<br>
But some error happened that is :<br>
mdrun: error while loading shared libraries: libXm.so.3: cannot open shared
object file: No such file or directory<br>
<br>
how can i fix it !<br>
thanks all!<o:p></o:p></span></font></p>

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