[gmx-users] parallel problem
lindahl at stanford.edu
Sat Mar 2 03:20:31 CET 2002
Choon Peng wrote:
> I've successfully compiled GROMACS 3.0.5 with MPICH 1.2.3 and get it to
> work, thanks to help from pple
> in this group (encountered the same error). So, it's time for my to
> contribute back.
> Please refer to http://www.bii-sg.org/~cpchng/GROMACS_HowTo.html
> where I've listed the steps to install FFTw, GROMACS and how to run mdrun
> using mpirun.
> Hope it will be of help to all MPICH users.
> I'll try compiling GROMACS 3.1 next week and report problems if
> Choon Peng CHNG
> BioInformatics Institute
Thanks a lot!
When you've tried, tell me if it works with 3.1 (it should, there are no
major MPI changes), and if it's ok to put a copy on www.gromacs.org for other
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