Improper compilation causes memory error during running nwchem
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Forum Vet
11:54:35 AM PST - Wed, Mar 1st 2017
Have you applied the patches listed at
http://nwchemgit.github.io/index.php/Download#Patches_for_the_27746_revision_of_NWChem_6.6
Could you please post the output of the following commands
gcc -v
gfortran -v
mpicc -v
mpif90 -v
env | grep MPI
env |grep BLAS
env | grep SCALA
env|grep USE_6
env|egrep NWC
head -25 $NWCHEM_TOP/src/tools/build/config.log
grep -i gemm $NWCHEM_TOP/src/nwdft/xc/xc_tabcd.F