Re: [AMBER] memory failure

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 14 May 2013 14:15:08 -0400

On Tue, May 14, 2013, Jonathan Gough wrote:
>
> the only line that prints in out file is NSTEP = 0
> any insight would be appreciated.

> ntpr=1000, ntwx=1000, nstlim=200000,

"Usual" advice: set nstlim=20 and ntpr=1; what happens? What happens with
this short job using the cpu version?

[This is just standard debugging...]

...dac


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Received on Tue May 14 2013 - 11:30:02 PDT
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