Hi Senthil,
It could be either but likely it is a problem with your simulation input - bad starting structure etc. As Dave suggests I would do debugging here. Use just pmemd.cuda - see if that works - if it runs on one card and not the other that would tell you it is a hardware issue - if it fails on both cards then likely it is a problem with your input. Maybe you have atoms clashing with each other, a sudden decrease in box size, etc etc.
Try running some short runs with ntpr=1 and ntwx=1 and see what happens - also try using the CPU code since this will give you more detailed error messages.
All the best
Ross
> On Jan 21, 2015, at 9:27 AM, BERGY <nucleic81.gmail.com> wrote:
>
> Hi
> I am running amber14 in a machine that came with preinstalled software of
> cuda and amber14.
> I get the following error during my runs.
>
> cudaMemcpy GpuBuffer::Download failed unspecified launch failure
>
> I have 2 x NVIDIA GeForce GTX 780cards
> Is it a problem with the card or I a error in my script.
>
> I submit as.....
> mpirun -np 2 pmemd.cuda.MPI -O -i prod.in
>
> Best,
> Senthil
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Received on Thu Jan 22 2015 - 10:00:03 PST
