[gmx-users] parallel problem

[Erik Lindahl]

Choon Peng wrote:

> Hi,
>
>    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
> encountered.
>
> Choon Peng CHNG
> BioInformatics Institute
> Singapore

Hi,

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
users!

Cheers,

Erik