Re: [AMBER] AMBER GPU Job Write Fails

From: Ross Walker <>
Date: Tue, 09 Jul 2013 11:48:55 -0700

Hi Mona,

What are the GPU models you are running? And does this happen on a single
GPU or only when running with mpi?

Have you got any log files? Chances are there was an error message written
to the log file, say error downloading forces or something similar. If you
could check there it would be useful. Can you also post what version
number is reported for the GPU code in your mdout file please?

All the best

On 7/9/13 9:42 AM, "Mona Minkara" <> wrote:

>On numerous occasions I have run AMBER jobs on a GPU which, although they
>appear to be running, fail to write output. Our HPC staff suggests that:
>It seems to be running, although I do see that it
>keeps calling cudaThreadSynchronize in gpu_calculate_kinetic_energy_.
>with the two GPU case, it might be looping over some calls.
>If anyone has encountered this type of problem with GPU jobs failing to
>write please let me know if there are suggestions for fixing this or if
>there is a bug fix.
>AMBER mailing list

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Received on Tue Jul 09 2013 - 12:00:02 PDT
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