Re: [gmx-users] MPI gromacs usage

2006-07-18 Thread Mark Abraham
Florian Haberl wrote: hi, On Tuesday 18 July 2006 16:20, Diane Fournier wrote: Hi gromacs users I've already used gromacs single-processor version and I want to use the parallel version of gromacs on a SGI Altix 2700 with 32 processors. I'm wondering how to proceed, because this does not seem

Re: [gmx-users] MPI gromacs usage

2006-07-18 Thread Florian Haberl
hi, On Tuesday 18 July 2006 16:20, Diane Fournier wrote: > Hi gromacs users > > I've already used gromacs single-processor version and I want to use the > parallel version of gromacs on a SGI Altix 2700 with 32 processors. I'm > wondering how to proceed, because this does not seem to be explained

Re: [gmx-users] MPI gromacs usage

2006-07-18 Thread Alan Dodd
The information must be out there, somewhere, because I found it... But in summary: You'll need to compile gromacs with MPI support. See the installation instructions for details about that. Once you've got MPI-enabled gromacs, you need to run grompp with the option -np (number of nodes to run ov

Re: [gmx-users] MPI gromacs usage

2006-07-18 Thread Milan Melichercik
Dňa Ut 18. Júl 2006 16:20 Diane Fournier napísal: > Hi gromacs users > > I've already used gromacs single-processor version and I want to use the > parallel version of gromacs on a SGI Altix 2700 with 32 processors. I'm > wondering how to proceed, because this does not seem to be explained > proper

[gmx-users] MPI gromacs usage

2006-07-18 Thread Diane Fournier
Hi gromacs users   I've already used gromacs single-processor version and I want to use the parallel version of gromacs on a SGI Altix 2700 with 32 processors. I'm wondering how to proceed, because this does not seem to be explained properly anywhere. Do I have to give special instructions in g