[gmx-users] segmentation fault: g_velacc

[Carsten Kutzner]

Hi Vigneshwar, 

the problem is fixed now in the release-4-0-patches branch. 

Carsten


On Feb 1, 2011, at 2:00 PM, Carsten Kutzner wrote:

> Hi,
> 
> apparently this bug fix made it to 4.5, but not to 4.0.
> I will apply the fix also there.
> 
> Carsten
> 
> 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
>> MILES-IGERT Trainee
>> 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
> http://www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne
> 
> 
> 
> 
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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
http://www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne