Re: [AMBER] Fwd: V limit

From: Ross Walker <>
Date: Thu, 29 Mar 2012 11:47:37 -0700

> It would have helped if you had said what programs you were running.
> For the
> cuda version of pmemd, the default value for vlimit is -1, which is
> interpreted to mean that vlimit is not supported on GPU's. You should
> not be
> getting a -1 if you run on a CPU version.
> (Aside to Scott and Ross: allowing vlimit checks on GPUs would be a
> real
> help!)

Do you have examples of real systems where you see vlimit issues beyond the
first few hundred picoseconds or so? I have never run anything that had
vlimit errors that didn't explode. I've never seen one appear in the middle
of a run. Only at the beginning and then the system always died a horrible
death regardless of the vlimit error.

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| | |
| Tel: +1 858 822 0854 | EMail:- |

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Received on Thu Mar 29 2012 - 12:00:05 PDT
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