ist for GROMACS users"
Sent: Friday, June 09, 2006 5:12 PM
Subject: Re: [gmx-users] GROMACS with MPICH on Sun Cluster
Alok wrote:
Thanks a lot Dr. David Spoel :)
I compiled GROMACS again with CFLAGS=-g , after that i ran mdrun_mpi. It
is running fine though with some warning. This time
Alok wrote:
Thanks a lot Dr. David Spoel :)
I compiled GROMACS again with CFLAGS=-g , after that i ran mdrun_mpi. It
is running fine though with some warning. This time I specified the full
path of mdrun_mpi binary.
But now I am having one strange problem. Sometimes it runs smoothly and
some
mdrun_mpi in
the SUN CLUSTER)
Warm regards,
Alok Jain
- Original Message -
From: "David van der Spoel" <[EMAIL PROTECTED]>
To: "Discussion list for GROMACS users"
Sent: Thursday, June 08, 2006 11:11 PM
Subject: Re: [gmx-users] GROMACS with MPICH on Sun Clust
TECTED]>
To: "Discussion list for GROMACS users"
Sent: Thursday, June 08, 2006 8:25 PM
Subject: Re: [gmx-users] GROMACS with MPICH on Sun Cluster
Alok wrote:
I tried mpirun mdrun_mpi -h but I got same error message
[0] MPI Abort by user Aborting program !
[0] Aborting program!
n i will come back to
you.
Thanks a lot !
best regards,
Alok Jain
- Original Message -
From: "David van der Spoel" <[EMAIL PROTECTED]>
To: "Discussion list for GROMACS users"
Sent: Thursday, June 08, 2006 8:25 PM
Subject: Re: [gmx-users] GROMACS with M
Alok wrote:
I tried mpirun mdrun_mpi -h but I got same error message
[0] MPI Abort by user Aborting program !
[0] Aborting program!
p0_29243: p4_error: : 0
Thanks for your kind attention.
Apart from upgrading to FFTW3 and GROMACS 3.3.1, you could try
ldd `which mdrun` to check which librari
"Discussion list for GROMACS users"
Sent: Thursday, June 08, 2006 8:14 PM
Subject: Re: [gmx-users] GROMACS with MPICH on Sun Cluster
Alok wrote:
Hi,
I am trying to run GROMACS in parallel on a SUN Cluster with MPICH. I
had installed FFTW 2.1.5 and Gromacs 3.2.1 without any error mas
Alok wrote:
Hi,
I am trying to run GROMACS in parallel on a SUN Cluster with MPICH. I
had installed FFTW 2.1.5 and Gromacs 3.2.1 without any error massage,
but when i tried to use mdrun_mpi (or even mdrun_mpi -h) I got the
following error message.
how about
mpirun mdrun -h
Hi,
I am trying to run GROMACS in parallel on a SUN Cluster with MPICH. I
had installed FFTW 2.1.5 and Gromacs 3.2.1 without any error massage,
but when i tried to use mdrun_mpi (or even mdrun_mpi -h) I got the
following error message.
##
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