Hi Lachele.
This should be fixed now. We still have the issue of having qmmm_module in
both sqm and sander. If one modifies one but forgets to update the other so
they get out of sync you can get very strange segfaults.
All the best
Ross
> -----Original Message-----
> From: amber-developers-bounces.ambermd.org [mailto:amber-developers-
> bounces.ambermd.org] On Behalf Of Lachele Foley
> Sent: Wednesday, January 27, 2010 11:15 AM
> To: AMBER Developers Mailing List
> Subject: [AMBER-Developers] qmmm seg fault
>
> Pulled from CVS on 20100125. I also get a seg fault from the directory
> using "../../../exe/sander -O -c nma.crd -o output.tst < dummy". Let
> me know what other info to provide.
>
> ==============================================================
> cd qmmm2/input_validation && ./Run.non_unique_qm_atoms
> diffing non-unique.out.save with non-unique.out
> PASSED
> ==============================================================
> cd qmmm2/pure_QM_MD && ./Run.nma
> Segmentation fault
> ./Run.nma: Program error
> make: *** [test.sander.QMMM.nopar] Error 1
>
> $ echo $LD_LIBRARY_PATH
> /usr/local/lib
>
> $ which gfortran ; gfortran --version
> /usr/local/bin/gfortran
> GNU Fortran (GCC) 4.2.3
>
> $ which gcc ; gcc --version
> /usr/local/bin/gcc
>
> $ uname -a
> Linux frost.woods.ccrc 2.6.9-42.0.2.ELsmp #1 SMP Thu Aug 17 18:00:32
> EDT 2006 i686 i686 i386 GNU/Linux
>
> $ echo $AMBERHOME
> /e14/programs/20100125_amber11
>
>
> :-) Lachele
> --
> B. Lachele Foley, PhD '92,'02
> Assistant Research Scientist
> Complex Carbohydrate Research Center, UGA
> 706-542-0263
> lfoley.ccrc.uga.edu
>
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Received on Wed Jan 27 2010 - 15:30:03 PST
