Dear Amber users and developers,
I'm trying to run pmemd.cuda.MPI in parallel on a GPU cluster (one C2050/node).
When using a few nodes it worked, but errors occured when using more nodes.
The top limit seems to have something to do with the simulated systems.
For some system even 96 nodes would work, while some not.
I'm using PME and am sure there are 32x more atoms than nodes.
The only messages I could find is:
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Any ideas?
Thanks!
Regards,
--
Hu Ge
Ph.D. Candidate
Research Center for Drug Discovery
School of Pharmaceutical Sciences
Sun Yat-Sen University
University City, Guangzhou, China 510006
TEL: +86-18666183494
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Received on Wed Sep 28 2011 - 21:00:03 PDT
