Hi all,I ran MDs of about 60000 atoms using pmemd.cuda_SPDP with MSI’s
GTX580 1.5GB and other manufacturer's 3GB board. MDs with MSI’s board
always ran through 10 ns, 5000000 steps completely. However, other’s board
often crashes presenting error message saying “max pairlist cutoff must be
less than unit cell max sphere radius”. Of course I patched bugfix all. I
think the difference of memory 1.5GB and 3.0GB does not affect on this case.
I am afraid a slight hardware flaw in phantom caused this error. Does anyone
know a program that detects detailed failure in GTX board? Or give any
suggestion?Hiro
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Received on Wed Jun 08 2011 - 04:00:02 PDT
