[gmx-users] Gromacs 4.5.4 on multi-node cluster

2011-12-07 Thread Nikos Papadimitriou
Dear All, I had been running Gromacs 4.0.7 on a 12-node cluster (Intel i7-920 4-cores) with OS Rocks 5.4.2. Recently, I have upgraded the cluster OS to Rocks 5.4.3 and I have installed Gromacs 4.5.4 from the Bio Roll repository. When running in parallel on the same node, everything works fine. How

[gmx-users] Re: Gromacs 4.5.4 on multi-node cluster

2011-12-08 Thread Nikos Papadimitriou
> > email message attachment > > > Forwarded Message > > From: Nikos Papadimitriou > > To: gmx-users@gromacs.org > > Subject: [gmx-users] Gromacs 4.5.4 on multi-node cluster > > Date: Wed, 7 Dec 2011 16:26:46 +0200 > > > >

Re: [gmx-users] Re: Gromacs 4.5.4 on multi-node cluster

2011-12-08 Thread Nikos Papadimitriou
> > Forwarded Message > > From: Nikos Papadimitriou > > To: gmx-users@gromacs.org > > Subject: [gmx-users] Re: Gromacs 4.5.4 on multi-node cluster > > Date: Thu, 8 Dec 2011 11:44:36 +0200 > > > > > > ---- Forwarded Me