Hello! First time in this mailing list.
I am having an issue making a pull between two centers of mass of two atom
groups, using pmemd.cuda. The stdout reads:
cudaMemcpy GpuBuffer::Download failed an illegal memory access was
encountered
When I run this on sander, it works just fine, so I think the system is not
blowing up.
I have also tried:
- running a plain simple simulation (not pulling) with pmemd.cuda and in
also worked just fine.
- running a simulation pulling from 2 individual atoms (not center of mass)
and it also worked fine.
I am attaching the mdin, restraint and output files for the center of mass
pulling.
Thanks a lot.
Best regards!
Gerardo Zerbetto De Palma
Universidad de Buenos Aires
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- application/octet-stream attachment: mdou.out
- application/octet-stream attachment: mdin.in
Received on Wed Mar 13 2019 - 13:30:02 PDT
