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<DIV><FONT face=Arial size=2> In order to run in
parallel you first need to run the mpi by lammpi -v bhost.def which instruct the
mpi which machine to use and how many CPU each machine has. You can read more
about it at the lam-mpi page. Second use the -np # flag when compile
the md.mdp file. Last you need to run the program through the mpirun by
mpirun -np # mdrun ... -np #. Fourth take yourself a cup of coffee,
end wait.</FONT></DIV>
<DIV><FONT face=Arial
size=2>
Itamar.</FONT></DIV>
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<DIV style="FONT: 10pt arial">----- Original Message ----- </DIV>
<DIV
style="BACKGROUND: #e4e4e4; FONT: 10pt arial; font-color: black"><B>From:</B>
<A title=PNAGY@UTNet.UToledo.Edu href="mailto:PNAGY@UTNet.UToledo.Edu">Nagy,
Peter I.</A> </DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A title=gmx-users@gromacs.org
href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A> </DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Wednesday, December 10, 2003 7:36
PM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> [gmx-users] MPI</DIV>
<DIV><BR></DIV><!-- Converted from text/plain format -->
<P><FONT size=2>Dear GROMACS Users,<BR><BR> Recently we downloaded
GROMACS 3.1.4, and since we want to run it with<BR>a dual processor under
Linux on a RedHat machine, fttw-lammpi and gromacs-mpi<BR>modules (is it the
proper term?) were also downloaded.<BR> The question is: was it
enough to download the 3+2 modules, as indicated in<BR>the download
instructions to activate the dual processor, or further configu-<BR>rations
are needed. Furthermore, will I see any indications when running GROMACS that
it is using both processors?</FONT><FONT size=2><BR></FONT><FONT
size=2><BR> Thanks, Peter Nagy,
pnagy@utnet.utoledo.edu</FONT> <FONT size=2></FONT></P>
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