Compiling NWCHEM on Centos6.1 openmpi1.6 ifort icc


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Forum Vet
4:44:11 PM PST - Wed, Nov 7th 2012
Sacch
The Intel compiler sees to be generating bad code.
Please do the following

cd $NWCHEM_TOP/src/NWints/hondo
touch hnd_giaxyz.F
make FC=ifort FOPTIMIZE="-O1"
cd ../..
make FC=ifort link

Cheers, Edo