On 12/20/06, Mark Abraham <[EMAIL PROTECTED]> wrote:
Seaclear Theory wrote: > Hi! All, > > I have a linux server with 4 CPUs. How can I run gromacs on all CPUs? > The gromacs manual has very limit information. And it does not works. So which part of the manual section entitled "Running GROMACS in parallel" doesn't work?
What I want is to run gromacs on a signle machine with multiple processors. In "A.5 Running GROMACS in parallel" "If you have a single machine with multiple processors you don't have to use the mpirun command, but you can do with an extra option to mdrun: % mdrun -np 8 -s topol -v -N 8 In this example MPI reads the first option from the command line. Since mdrun also wants to know the number of processes you have to type it twice."
I installed Lam/mpi and compile gromacs with mpi. Thanks lot! Have you read the man pages for grompp and mdrun closely? Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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