[gmx-users] about parallel work

[sheerychen]

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 <martin.hoefling at gmx.de>

>
> 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
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-- 
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: zhen.chen at tuhh.de
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