yes, both versions are compiled as mpi version. However the start mpi messages are different. For MPICH, it would show that 1D domain decomposition like 3*1*1, and only 1 file would be produced. However for MPICH2, no such information appears and it would produce many files as (8 nodes):<br>
complex_em.edr complex_em.log #complex_em.trr.7# #complex_pr.log.5#<br>#complex_em.edr.1# #complex_em.log.1# complex_pr.cpt #complex_pr.log.6#<br>#complex_em.edr.2# #complex_em.log.2# #complex_pr.cpt.1# #complex_pr.log.7#<br>
#complex_em.edr.3# #complex_em.log.3# complex_pr.edr complex_pr_prev.cpt<br>#complex_em.edr.4# #complex_em.log.4# #complex_pr.edr.1# complex_pr.tpr<br>#complex_em.edr.5# #complex_em.log.5# #complex_pr.edr.2# complex_pr.trr<br>
#complex_em.edr.6# #complex_em.log.6# #complex_pr.edr.3# #complex_pr.trr.1#<br>#complex_em.edr.7# #complex_em.log.7# #complex_pr.edr.4# <br><br><div class="gmail_quote">2009/4/21 Martin Höfling <span dir="ltr"><<a href="mailto:martin.hoefling@gmx.de">martin.hoefling@gmx.de</a>></span><br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><br>
Am 21.04.2009 um 17:04 schrieb sheerychen:<br>
...<div class="im"><br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
However, in my person computer which install the MPICH (not MPICH 2), I use the commond like this ''mpirun -np 3 /usr/bin/mdrun_mpi -deffnm *** -v''. It would show the domain decomposition and the speed is quicked than 8 CPUS.<br>
<br>
What is the problem???<br>
</blockquote>
<br></div>
Are both versions compiled as mpi version? (configure --enable-mpi) And do they both show the usual mpi messages when started?<br>
<br>
Best <br>
Martin<br>
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</blockquote></div><br><br clear="all"><br>-- <br>Zhen Chen,<br>Department of Bioprocess and Biosystem Engineering,<br>Hamburg University of Technology, Denickestr. 15, D-21071, Hamburg,Germany<br>Tel.: ++49 (0) 40 42878-3172, Fax: -3172, e-mail: <a href="mailto:zhen.chen@tuhh.de">zhen.chen@tuhh.de</a><br>