segmentation fault--running small test case, compiled with gfortran

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2:41:02 PM PDT - Wed, May 16th 2012
libblas-dev might be the culprit
Ohlincha, I have manage to reproduce your failure. It is due to the fact that the tools autoconf detects the presence of /usr/lib/libblas.a and make some decisions accordingly that conflicts with what happens on the nwchem side (unfortunately!) There are two ways to solve this problem (they both require to re-compile the tools directory). 1st Solution: you need patch the tools makefile by doing the following 1) cd $NWCHEM_TOP/src/tools 2) wget http://www.nwchem-sw.org/images/Toolsmakefile.patch.gz 3) gzip -d Toolsmakefile.patch 4) patch -p0 < Toolsmakefile.patch 5) make clean 6) make FC=gfortran 7) cd .. 8) make FC=gfortran link 2nd solution: you need to remove the blas system library 1) sudo apt-get remove libblas-dev (you might be forces to remove libatlas-dev, too) 2) cd $NWCHEM_TOP/src/tools 3) make clean 4) make FC=gfortran 5) .. 6) make FC=gfortran link Please me know if this solves this problem that seems to have affected several NWChem users. Thanks, Edo
Edited On 2:58:44 PM PDT - Wed, May 16th 2012 by Edoapra

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