Re: [gmx-users] GROMACS with MPICH on Sun Cluster

2006-06-09 Thread Alok
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

Re: [gmx-users] GROMACS with MPICH on Sun Cluster

2006-06-09 Thread David van der Spoel
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

Re: [gmx-users] GROMACS with MPICH on Sun Cluster

2006-06-09 Thread Alok
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

Re: [gmx-users] GROMACS with MPICH on Sun Cluster

2006-06-08 Thread David van der Spoel
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!

Re: [gmx-users] GROMACS with MPICH on Sun Cluster

2006-06-08 Thread Alok
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

Re: [gmx-users] GROMACS with MPICH on Sun Cluster

2006-06-08 Thread David van der Spoel
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

Re: [gmx-users] GROMACS with MPICH on Sun Cluster

2006-06-08 Thread Alok
"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

Re: [gmx-users] GROMACS with MPICH on Sun Cluster

2006-06-08 Thread David van der Spoel
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

[gmx-users] GROMACS with MPICH on Sun Cluster

2006-06-08 Thread Alok
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. ##