Hello. I am running MD calculations under SPFP using the latest
patches on Amber12 with pmemd.cuda. I have divided my 100 ns
simulation into 10 parts and some of the simulations end with an
error:
cudaMemcpy GpuBuffer::Download failed unspecified launch failure
I am using a GTX580 to do this. This sort of problem never happened
before. My system is comprised of a zinc bound protein. The parameters
I obtained from the MTK++ routine. Should I go back to using SPDP?
Thank you
Fabrício Bracht
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Received on Tue Sep 11 2012 - 16:30:02 PDT
