AW: segmentation fault with NAMDenergy

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Fri Apr 20 2012 - 01:00:23 CDT

Hi Anonymus,

just by the way there's also a VMD mailing list.

Segmentation faults can occur for several reasons:

1. A programming error
2. Wrong library versions
3. To old distribution or too new application <- same as 2.
4. Uncaught input errors <- same as 1.

You could check the VMD list to see if others had the same problem, if not, maybe there's something wrong with your installation. What distribution do you use and what version it is, also what version of vmd are you using?

Norman Geist.

> -----Ursprüngliche Nachricht-----
> Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im
> Auftrag von amin_at_imtech.res.in
> Gesendet: Donnerstag, 19. April 2012 17:20
> An: namd-l_at_ks.uiuc.edu
> Betreff: namd-l: segmentation fault with NAMDenergy
>
> Dear all,
> I ran a short GBIS simulation of a protein ligand complex as
> described
> in the Linear Interaction Energy Tutorial by John E.Kerrigan.
> Everything
> went fine but I am not able to get the VDW and Elec energies using NAMD
> energy plugin. I have tried for just the ligand and the complex but I
> keep getting "Error:child killed:segmentation violation". The details
> of
> the error are
>
> child killed: segmentation violation
> child killed: segmentation violation
> while executing
> "exec $namdcmd ${jobname}-temp.namd > ${jobname}-temp.log"
> (procedure "namdrun" line 56)
> invoked from within
> "namdrun"
> (procedure "namdmain" line 76)
> invoked from within
> "namdmain"
> (in namespace inscope "::namdEnergy" script line 19)
> invoked from within
> "::namespace inscope ::namdEnergy {
> mol top $currentMol
> variable sel1
> variable sel2
> variable nsel
> set energy ""
> set..."
> invoked from within
> ".namdenergy.gobutton invoke"
> ("uplevel" body line 1)
> invoked from within
> "uplevel #0 [list $w invoke]"
> (procedure "tk::ButtonUp" line 22)
> invoked from within
> "tk::ButtonUp .namdenergy.gobutton"
> (command bound to event)
>
> Can someone please help with this.
> Thanks.
>
>
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