Re: [gmx-users] Gromacs on Xserver G5 /MPI

2007-05-16 Thread Warner Yuen
en at apple.com Tel: 408.718.2859 On May 16, 2007, at 10:06 AM, [EMAIL PROTECTED] wrote: -- Message: 3 Date: Wed, 16 May 2007 14:35:48 +0200 From: abelius <[EMAIL PROTECTED]> Subject: Re: [gmx-users] Gromacs on Xserver G5 /MPI To: Discussion list for GROMACS users

Re: [gmx-users] Gromacs on Xserver G5 /MPI

2007-05-16 Thread David van der Spoel
abelius wrote: -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Mpi version: mpich-1.2.6 I tested the same command on a linux-gentoo system with mpich-1.2.7 and it worked perfectly. I guess I should update the mpich first? This would be a lot of work since It would mean updating SGE also. Any ide

Re: [gmx-users] Gromacs on Xserver G5 /MPI

2007-05-16 Thread abelius
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Mpi version: mpich-1.2.6 I tested the same command on a linux-gentoo system with mpich-1.2.7 and it worked perfectly. I guess I should update the mpich first? This would be a lot of work since It would mean updating SGE also. Any ideas for easier tes

Re: [gmx-users] Gromacs on Xserver G5 /MPI

2007-05-16 Thread David van der Spoel
abelius wrote: Dear All, Does anyone have experience with running gromacs on a apple Xserve G5? A simple install works fine but when I try to run mdrun on 2 processors using mpi I get one process running at +/- 70% CPU and one remains at 0% CPU. Does this sound familiar to anyone? System:

[gmx-users] Gromacs on Xserver G5 /MPI

2007-05-16 Thread abelius
Dear All, Does anyone have experience with running gromacs on a apple Xserve G5? A simple install works fine but when I try to run mdrun on 2 processors using mpi I get one process running at +/- 70% CPU and one remains at 0% CPU. Does this sound familiar to anyone? System: Xserve G5