No it does run on cpu but the cuda version does not!
Is it some issue with the cuda version?
________________________________
From: Brian Radak <brian.radak.gmail.com>
Sent: Wednesday, March 20, 2019 8:23 PM
To: AMBER Mailing List
Subject: Re: [AMBER] Gpu illegal memory code accessed
Goodness, that error message has improved by orders of magnitude since I
was in grad school - bravo to whoever made that change!
Have you tried following the advice that is given? Did this happen
relatively early in your simulation?
On Wed, Mar 20, 2019, 10:39 AM Debarati DasGupta <
debarati_dasgupta.hotmail.com> wrote:
> Any help on this error code?
>
> I could not understand what went wrong.
> Thanks
> Debarati
>
>
> Hostname = grape5
> Date = Wed Mar 20 10:25:24 EDT 2019
> SLURM_GPUFILE ...
> gpuNum=
> ERROR: Calculation halted. Periodic box dimensions have changed too much
> from their initial values.
> Your system density has likely changed by a large amount, probably from
> starting the simulation from a structure a long way from equilibrium.
>
> [Although this error can also occur if the simulation has blown up for
> some reason]
>
> The GPU code does not automatically reorganize grid cells and thus you
> will need to restart the calculation from the previous restart file.
> This will generate new grid cells and allow the calculation to continue.
> It may be necessary to repeat this restarting multiple times if your
> system
> is a long way from an equilibrated density.
>
> Alternatively you can run with the CPU code until the density has
> converged
> and then switch back to the GPU code.
>
> The GPU code does not automatically reorganize grid cells and thus you
> will need to restart the calculation from the previous restart file.
> This will generate new grid cells and allow the calculation to continue.
> It may be necessary to repeat this restarting multiple times if your
> system
> is a long way from an equilibrated density.
>
> Alternatively you can run with the CPU code until the density has
> converged
> and then switch back to the GPU code.
>
> cudaMemcpy GpuBuffer::Download failed an illegal memory access was
> encountered
> ~
> ~
> ~
>
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Received on Thu Mar 21 2019 - 07:30:03 PDT
