sorry my english..
I want to know how can I run Gromancs in parallel!
Because when I used
mdrun &
mpiexec -np 4 mdrun_mpi -v -deffnm em
to run the minimization in 4 cores > all cores make the same job, again!
They don't run together.
I want all in parallel make the job faster.
what
coul
n MPI Users
Enviadas: Domingo, 6 de Junho de 2010 9:51:26
Assunto: Re: [OMPI users] Gromacs run in parallel
Hi,
which version of Gromacs is this? Could you post the first lines of
the md.log output file?
Carsten
On Jun 5, 2010, at 10:23 PM, lauren wrote:
sorry my english..
>
>I want to kno
pplication" running 4 1-process MPI jobs (instead of 1 4-process MPI
job) is that you compiled my_mpi_application with one MPI implementation, but
then used the mpirun from a different MPI implementation.
On Jun 8, 2010, at 8:59 AM, lauren wrote:
>
> The version of Gromacs is 4.0.7.
>
rocess MPI jobs (instead of 1 4-process
> > MPI job) is that you compiled my_mpi_application with one MPI
> > implementation, but then used the mpirun from a different MPI
> > implementation.
> >
> Hi,
>
> this can be checked by looking at the Gromacs output file md.
If the MPI's do not match, either use the right mpiexec or recompile
gromacs with the current mpi.
Carsten
On Jun 8, 2010, at 5:50 PM, lauren wrote:
I saw
>
>Host: pid: nodeid: 0 nnodes: 1
>
>really it`s running in 1 node
>and All of you really undestood my problem, th
en-mpi.org [users-boun...@open-mpi.org] On Behalf Of
lauren [owenl...@yahoo.com.br]
Sent: Tuesday, June 08, 2010 11:36 AM
To: Open MPI Users
Subject: [OMPI users] Res: Res: Res: Gromacs run in parallel
Hi,
I did it and it match.
mdrun and mpiexec at the same place.
seems ok...
1 more suggesti
h and it did the same.
Rangam
From: users-boun...@open-mpi.org [users-boun...@open-mpi.org] On Behalf Of
lauren [owenl...@yahoo.com.br]
Sent: Tuesday, June 08, 2010 11:36 AM
To: Open MPI Users
Subject: [OMPI users] Res: Res: Res: Gromacs run in paral
