[gmx-users] g_mindist -pi gives segfault in 3.3.3 and 4.0.2 but not 3.3.1

[Berk Hess]

Hi,

I never noticed this because I always used -s.
Supply a tpr file with -s in addition to -n and it will work.
I fixed this for 4.0.3 such that with -pi it automatically uses -s as well.

Berk

> Date: Sat, 17 Jan 2009 10:11:34 -0500
> From: chris.neale at utoronto.ca
> To: gmx-users at gromacs.org
> Subject: [gmx-users] g_mindist -pi gives segfault in 3.3.3 and 4.0.2 but not	3.3.1
> 
> Hello,
> 
> For my systems, I have been unable to get g_mindist -pi to function 
> unless I roll back to gmx 3.3.1. Would somebody please test their 4.0.2 
> (and perhaps 3.3.3) installations to see if the error is repeatable or 
> perhaps is somehow related to my installation?
> 
> Related output from 3.3.3 when g_mindist -f file.gro -n file.ndx -pi
> 
> Selected 3: 'a_1'
> Reading frames from gro file 'test', 140634 atoms.
> Reading frame       0 time    0.000  
> Back Off! I just backed up mindist.xvg to ./#mindist.xvg.9#
> Segmentation fault
> 
> Note that non -pi g_mindist still works fine for me in all versions.
> 
> Thanks,
> CHris.
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