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
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
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
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.
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.
>
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
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
