Ubuntu 14.04 - inconsistent data on presence of BLAS library


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Forum Vet
It's not clear to me what values you have used for
SCALAPACK
BLAS
LAPACK

My suggestion is follow the instructions described at

https://github.com/nwchemgit/nwchem/wiki/Compiling-NWChem#nwchem-66-on-ubuntu-1404-trusty-...

sudo apt install python-dev gfortran libopenblas-dev libopenmpi-dev openmpi-bin tcsh make


export USE_MPI=y
export NWCHEM_TARGET=LINUX64
export USE_PYTHONCONFIG=y
export PYTHONVERSION=2.7
export PYTHONHOME=/usr
export BLASOPT="-lopenblas -lpthread -lrt"
export BLAS_SIZE=4
export USE_64TO32=y


cd $NWCHEM_TOP/src
make nwchem_config NWCHEM_MODULES="all python"
make 64_to_32
make