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): complex_em.edr complex_em.log #complex_em.trr.7# #complex_pr.log.5# #complex_em.edr.1# #complex_em.log.1# complex_pr.cpt #complex_pr.log.6# #complex_em.edr.2# #complex_em.log.2# #complex_pr.cpt.1# #complex_pr.log.7# #complex_em.edr.3# #complex_em.log.3# complex_pr.edr complex_pr_prev.cpt #complex_em.edr.4# #complex_em.log.4# #complex_pr.edr.1# complex_pr.tpr #complex_em.edr.5# #complex_em.log.5# #complex_pr.edr.2# complex_pr.trr #complex_em.edr.6# #complex_em.log.6# #complex_pr.edr.3# #complex_pr.trr.1# #complex_em.edr.7# #complex_em.log.7# #complex_pr.edr.4#
2009/4/21 Martin Höfling <[email protected]> > > Am 21.04.2009 um 17:04 schrieb sheerychen: > ... > >> 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. >> >> What is the problem??? >> > > Are both versions compiled as mpi version? (configure --enable-mpi) And do > they both show the usual mpi messages when started? > > Best > Martin > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use thewww interface > or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Zhen Chen, Department of Bioprocess and Biosystem Engineering, Hamburg University of Technology, Denickestr. 15, D-21071, Hamburg,Germany Tel.: ++49 (0) 40 42878-3172, Fax: -3172, e-mail: [email protected]
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