On Wed, Mar 24, 2021, Renato Araujo wrote:
>Dear amber users I'm trying to simulate a molecular dynamics with
>pmemd.cuda and I'm getting the following error:
>cudaMemcpy GpuBuffer :: Download failed an illegal memory access was
>encountered.
As you may have guessed, this error doesn't offer any information about what
went wrong. We would need to know a lot more about what is going on to be
of any help.
Visualize your trajectory, and look for close contacts between the ligand
and the protein. Use the "checkstructure" action in cpptraj on a snapshot
shortly before the crash to see if anything pops up. You could look for
differences between the simulation that worked and the one that didn't.
Beyond that, one would need more information to help with debugging. Is
this happening in the middle of a long simulation, or right at the
beginning?
....dac
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Received on Wed Mar 24 2021 - 05:00:02 PDT
