[gmx-users] Problem configuring openMPI

Mark Abraham Mark.Abraham at anu.edu.au
Tue Mar 3 21:55:11 CET 2009

Manik Mayur wrote:
> On Wed, Mar 4, 2009 at 1:55 AM, Roland Schulz <roland at utk.edu 
> <mailto:roland at utk.edu>> wrote:
>     You will have to recompile everything:
>     make clean
>     make
> I tried that but to no avail, then I tried building static libs by 
> removing --enable-shared in ./configure and it got compiled and 
> installed properly.
> Thanks to all, as for now, its working to my need.
> But somehow still I feel that with openmpi-1.3, gromacs-4.0.4 and Xeon 
> Quad core at 3.6Ghz, the processing speed which I am getting, is quite low.

This comment won't help you fix the issue. You need to start by telling 
us why you think the speed is low, and under what conditions you are 
testing. If you aren't using an optimized FFT package you will get slow 
throughput with PME.


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