Re: [AMBER] memory failure

From: Jonathan Gough <jonathan.d.gough.gmail.com>
Date: Tue, 14 May 2013 15:45:05 -0400

thanks


On Tue, May 14, 2013 at 2:15 PM, David A Case <case.biomaps.rutgers.edu>wrote:

> 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 - 13:00:02 PDT
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