[gmx-developers] head mdrun broken?
ckutzne at gwdg.de
Tue Dec 22 11:36:00 CET 2009
thanks for fixing it. I can now run a single process again.
However, in parallel there still seems to
be a problem:
Program mdrun, VERSION 4.0.99_development_20090927
Source code file: domdec.c, line: 4159
Software inconsistency error:
Unknown state entry encountered in dd_redistribute_cg
hess at sbc.su.se wrote:
> There were many issues, but I think I have fixed them all,
> both for tpx and cpt.
>> This is exactly the problem I mailed Michael Shirts about a few days ago.
>> I think he placed back the xi i/o line, but with double iso real.
>> You can fix it, or wait till Michael fixes it.
>>> there seems to be a problem with the current head version;
>>> I get a segmentation fault when I read in a tpr file. It happens
>>> at tpxio.c line 1978, ndo_double(state->nosehoover_xi ...
>>> Maybe this is already dealt with.
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Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics Department
Am Fassberg 11
37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
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