ikass at cc.huji.ac.il
Wed Dec 10 18:47:00 CET 2003
MPI 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.
----- Original Message -----
From: Nagy, Peter I.
To: gmx-users at gromacs.org
Sent: Wednesday, December 10, 2003 7:36 PM
Subject: [gmx-users] MPI
Dear GROMACS Users,
Recently we downloaded GROMACS 3.1.4, and since we want to run it with
a dual processor under Linux on a RedHat machine, fttw-lammpi and gromacs-mpi
modules (is it the proper term?) were also downloaded.
The question is: was it enough to download the 3+2 modules, as indicated in
the download instructions to activate the dual processor, or further configu-
rations are needed. Furthermore, will I see any indications when running GROMACS that it is using both processors?
Thanks, Peter Nagy, pnagy at utnet.utoledo.edu
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