Re: [gmx-users] gromacs benchmark SGI ALTIX ICE with Intel Quad-Core E5472

2009-05-14 Thread David van der Spoel
intra\sa175950 wrote: Hi all For a research project, I need to know how gromacs work/scale (especially gmx 4.0.4) in SGI ALTIX ICE 8200 EX machine cluster with Intel Quad-Core E5472. I want to simulate a molecular system (with 14 amino acid peptide +/- 5000 water molecules) in explicit co

Re: [gmx-users] gromacs benchmark SGI ALTIX ICE with Intel Quad-Core E5472

2009-05-14 Thread Justin A. Lemkul
intra\sa175950 wrote: Hi all For a research project, I need to know how gromacs work/scale (especially gmx 4.0.4) in SGI ALTIX ICE 8200 EX machine cluster with Intel Quad-Core E5472. I want to simulate a molecular system (with 14 amino acid peptide +/- 5000 water molecules) in explicit

[gmx-users] gromacs benchmark SGI ALTIX ICE with Intel Quad-Core E5472

2009-05-14 Thread intra\sa175950
Hi all For a research project, I need to know how gromacs work/scale (especially gmx 4.0.4) in SGI ALTIX ICE 8200 EX machine cluster with Intel Quad-Core E5472. I want to simulate a molecular system (with 14 amino acid peptide +/- 5000 water molecules) in explicit conditions with PME and 32 -