Hi,
Can you add in the &sebomd namelist "screen = 2," for both md.in and
min.in, and send me the outputs?
I have access to PGI 10.4 compilers. I'm gonna test to see if I can
reproduce the problem.
Gerald.
On 03/20/2014 10:55 PM, Daniel Roe wrote:
> FYI:
>
> The sebomd/DC/water32 test fails for me in serial and in parallel using pgi
> 13.4 compilers, mvapich 1.7. The serial test has significant diffs. The
> parallel test hangs forever on the min.csh script, right after the first
> step energy is printed.
>
> Relevant files attached.
>
> -Dan
>
>
>
>
>
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--
____________________________________________________________________________
Prof. Gerald MONARD
SRSMC, Université de Lorraine, CNRS
Boulevard des Aiguillettes B.P. 70239
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e-mail : Gerald.Monard.univ-lorraine.fr
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web : http://www.monard.info
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Received on Fri Mar 21 2014 - 02:00:03 PDT
