Dear Lin
Have you tried to re-submit the job?
yea.
I first knew this error in the system equilibrium phase.
I tried several times running on GPU and one of them passed without error,
however the error returned in the production phase and was unable to
perform the simulation.
Note: This was one of the attempts.
Em seg., 29 de mar. de 2021 às 14:37, Song, Lin <songlin3.chemistry.msu.edu>
escreveu:
> Hi Prof Renato,
>
> I have also met the memory problem before. It could be caused by the HPC
> scheduler. In short, the GPU is not available although the job got
> scheduled. Have you tried to re-submit the job?
>
> Best,
> Lin
>
>
> On Mar 29, 2021, at 8:47 AM, Renato Araujo <renatoacufpa.gmail.com<mailto:
> renatoacufpa.gmail.com>> wrote:
>
> 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
> <mailto: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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--
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 - 11:00:03 PDT
