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<DIV><SPAN class=435123200-15052004><FONT face=Arial color=#0000ff size=2>Hi,
Dear Erik:</FONT></SPAN></DIV>
<DIV><SPAN class=435123200-15052004><FONT face=Arial color=#0000ff
size=2></FONT></SPAN> </DIV>
<DIV><SPAN class=435123200-15052004><FONT face=Arial color=#0000ff size=2>The
cluster is maintained by our computer center. Other mpi programs run OK,
including MOIL, CFD. I have also succeed in running a non-mpi Gromacs.
</FONT></SPAN></DIV>
<DIV><SPAN class=435123200-15052004><FONT face=Arial color=#0000ff
size=2></FONT></SPAN> </DIV>
<DIV><SPAN class=435123200-15052004><FONT face=Arial color=#0000ff size=2>This
is the reason that confused me. The guys in computer center have no idea,
neighter. I have found one same report in this user list, which receive no
answer. </FONT></SPAN></DIV>
<DIV><SPAN class=435123200-15052004><FONT face=Arial color=#0000ff
size=2></FONT></SPAN> </DIV>
<DIV><SPAN class=435123200-15052004><FONT face=Arial color=#0000ff size=2>Any
suggest?</FONT></SPAN></DIV>
<DIV><SPAN class=435123200-15052004><FONT face=Arial color=#0000ff
size=2></FONT></SPAN> </DIV>
<DIV><SPAN class=435123200-15052004><FONT face=Arial color=#0000ff
size=2>Thanks.</FONT></SPAN></DIV>
<DIV><SPAN class=435123200-15052004><FONT face=Arial color=#0000ff
size=2></FONT></SPAN> </DIV>
<DIV><SPAN class=435123200-15052004><FONT face=Arial color=#0000ff
size=2>Dawei</FONT></SPAN></DIV>
<BLOCKQUOTE dir=ltr style="MARGIN-RIGHT: 0px">
<DIV></DIV>
<DIV class=OutlookMessageHeader lang=en-us dir=ltr align=left><FONT
face=Tahoma size=2>-----Original Message-----<BR><B>From:</B>
gmx-developers-bounces@gromacs.org [mailto:gmx-developers-bounces@gromacs.org]
<B>On Behalf Of </B>Erik Lindahl<BR><B>Sent:</B> Friday, May 14, 2004 5:01
PM<BR><B>To:</B> Discussion list for GROMACS development<BR><B>Subject:</B>
Re: [gmx-developers] Install and run Gromacs<BR><BR></FONT></DIV><!-- Converted from text/enriched format -->
<DIV>Hi, </DIV><BR>
<DIV>On May 14, 2004, at 9:53 AM, Li Dawei wrote: </DIV>
<BLOCKQUOTE>
<DIV>-----------------------------------------------------------------------------
</DIV>
<DIV>It seems that at least one rank invoked some MPI function before </DIV>
<DIV>invoking MPI_INIT. The only information that I can give is that it
</DIV>
<DIV>was PID 3257 on host atlas11.nus.edu.sg. </DIV><BR>
<DIV>-----------------------------------------------------------------------------
</DIV>
<DIV><FONT face="Times New Roman">It is very hard for me to understand this,
since Gromacs surely will not do this. I have searched the achive of Gromacs
and MPICH and found no answer.</FONT> </DIV><BR></BLOCKQUOTE>
<DIV>No, I'm pretty sure this isn't a bug in Gromacs. Try and test some
trivial example MPI program (there is for instance one to calculate PI in the
MPICH distribution) and see if that works first, and make sure that the
non-parallel version of Gromacs works too. </DIV><BR>
<DIV>Cheers, </DIV><BR>
<DIV>Erik </DIV></BLOCKQUOTE></BODY></HTML>