DFT calculation on spin-orbit couplings: Insufficient memory in ecp int2


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Forum Vet
11:10:41 AM PDT - Fri, Apr 11th 2014
Daniela
Here is how to the fix the bug you have uncovered by recompiling your NWChem binary


cd $NWCHEM_TOP/src
wget http://nwchemgit.github.io/images/Ecpmem.patch.gz
gzip -d Ecpmem.patch
cd NWints/api
make
cd ../..
make link