[gmx-users] segmentation fault: g_velacc

Carsten Kutzner ckutzne at gwdg.de
Tue Feb 1 14:00:16 CET 2011


apparently this bug fix made it to 4.5, but not to 4.0.
I will apply the fix also there.


On Feb 1, 2011, at 1:58 PM, Justin A. Lemkul wrote:

> Vigneshwar Ramakrishnan wrote:
>> Dear All,
>> I am using the gromacs 4.0.7 version and I was trying to calculate the momentum autocorrelation function by using the -m flag. However, I get a segmentation fault as follows:
>> trn version: GMX_trn_file (double precision)
>> Reading frame       0 time    0.000   Segmentation fault
>> When I don't use the -m option, I have no problem.
>> Upon searching the userslist, I found this thread: http://lists.gromacs.org/pipermail/gmx-users/2010-October/054813.html and a patch, but I don't find any related bugs reported elsewhere. So, I am just wondering if I sould go ahead and use the patch or if there could be something else that is wrong. Will appreciate any kind of pointers. 
> Either apply the patch or upgrade to a newer version of Gromacs that contains this bug fix.
> -Justin
>> Sincerely, Vignesh
>> -- 
>> R.Vigneshwar
>> Graduate Student,
>> Dept. of Chemical & Biomolecular Engg,
>> National University of Singapore,
>> Singapore
>> "Strive for Excellence, Never be satisfied with the second Best!!"
>> I arise in the morning torn between a desire to improve the world and a desire to enjoy the world. This makes it hard to plan the day. (E.B. White)
> -- 
> ========================================
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> ========================================
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Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302

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