[AMBER-Developers] qmmm seg fault

From: Lachele Foley <lfoley.ccrc.uga.edu>
Date: Wed, 27 Jan 2010 14:15:04 -0500

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 - 11:30:04 PST
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