>Did you follow the above advice? It looks like you are using openMPI;
>which
>case, I'm not sure whether or not it will work with pmemd.cuda.MPI. You
>will
>need at least version 1.5 or later (and, in fact, even that might not
>actually
>work. If anyone on the list has current knowledge of how openMPI is or
>is not
>compatible with pmemd.cuda.MPI, please post some info.)
I have never been successful in getting OpenMPI to work with the GPU code
- as far as I can tell it is NOT completely MPI v2 compatible. I gave up a
while ago on it and switched to MPICH2 and/or MVAPICH2. It is a shame that
all the various Linux installations choose to include OpenMPI as their
default (and in the PATH :-( ) MPI.
All the best
Ross
/\
\/
|\oss Walker
---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
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Received on Fri Apr 12 2013 - 08:30:04 PDT
