Re: [AMBER] (no subject)

From: case <case.biomaps.rutgers.edu>
Date: Sat, 19 May 2012 09:18:51 -0400

On Sat, May 19, 2012, DEBOSTUTI GHOSHDASTIDAR wrote:
>
> Following are the last few steps from the out file. I ran with
> taup=3....the error file shows "forrtl: severe (174): SIGSEGV,
> segmentation fault occurred" ...

Sorry for the truncated earlier email. It's not clear that pressure has
anything to do with the problem, but you might try setting dt=0.001 and even
taup=30. to see what happens. What value of ntt (and other thermostat
parameters) are you using? Are you running on a GPU? in parallel?

It's a rather odd error, and I'm grasping at straws to find a clue. We will
probably have to get your input files to see if the problem is reproducible.

....dac


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Received on Sat May 19 2012 - 06:30:03 PDT
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