On Sat, May 19, 2012, DEBOSTUTI GHOSHDASTIDAR wrote:
> Hi
>
> 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" ...
>
>
> NSTEP = 67 TIME(PS) = 108.134 TEMP(K) = NaN PRESS = 2389.8
> Etot = NaN EKtot = NaN EPtot = -126024.2747
Your error is not necessarily related to the pressure, whose fluctuations seem
entirely normal. The trajectory indeed seems fine through 66 steps, then the
kinetic energy becomes NaN (not a number).
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Received on Sat May 19 2012 - 06:30:02 PDT
