[gmx-users] segmentation fault: g_velacc

Justin A. Lemkul jalemkul at vt.edu
Tue Feb 1 13:58:34 CET 2011

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.


> 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


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