Hi Wookyung,
> I use amber11, PMEMD.cuda using GTX480 graphic card.
>
> Sometimes, and special protein, MD is stopped, and leave this message.
> "Error: the launch timed out and was terminated launching kernel
> kPMEGetGridWeights"
>
> (I did explicit water simulation 2 proteins , one is 6820 atoms, and
> the
> other is 17800 atoms
> The protein which has 6820 atoms has no problem,
> but the protein which has 17800 atoms often has this problem.)
Is this atom count of the protein or atom count including the water?
Can you send me your input files please. Also can you run the deviceQuery
command (download and compile the CUDA SDK and it is in CUDA_SDK/C/bin/)
All the best
Ross
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|\oss Walker
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| San Diego Supercomputer Center |
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Received on Thu May 27 2010 - 21:00:03 PDT
