Dear Prof David
I’ve tried your suggestions and I’m still getting the same error
cudaMemcpy GpuBuffer :: Download failed an illegal memory access was
encountered
I did the balancing process in CPU.
200ps of heating, 300ps of density and 500ps of balance.
In the production stage I started to do with the GPU, but the error
happened again;
cudaMemcpy GpuBuffer :: Download failed an illegal memory access was
encountered
The error happens in the first 10ns of simulation.
Any other suggestions to resolve this error?
Note: This happens with only one complex (liganate-protein) in three other
complexes, this does not occur. The same protocol is used for everyone.
Em qua., 24 de mar. de 2021 às 12:07, David A Case <david.case.rutgers.edu>
escreveu:
> On Wed, Mar 24, 2021, Renato Araujo wrote:
>
> >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?
> >
> >It happens at the beginning of the simulation, between 10 and 20ns.
>
> That helps some, but look at the error: does it happen at very early step,
> i.e. within the first 10 steps? You may need to run a short trajectory
> with ntpr=1 to get this information.
>
> Also, be sure that you have applied all updates: in particular, not
> applying
> update.8 may lead to instabilities if you are using the ff19SB force field.
>
> ...good luck....dac
>
>
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--
Prof Dr Renato Costa
Instituto Federal do Pará - IFPA
Grupo de Modelagem Molecular - UFPA
Tel.+55 91 985484622
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Received on Mon Mar 29 2021 - 06:00:05 PDT
