Compiling NwChem 6.8.1 on Ubuntu 18.04 with OpenMPI 4.0 failed


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Forum Vet
10:01:10 AM PDT - Fri, Mar 22nd 2019
Please do the following

  • post the output of the command

grep -i syev $NWCHEM_TOP/src/geom/*F

  • if you have not type make clean before the last compilation, please either recompile after a make clean, or (faster) do the following

cd $NWCHEM_TOP/src/lapack
make clean;make
cd $NWCHEM_TOP/src/blas
make clean;make
cd $NWCHEM_TOP/src/64to32blas
make clean;make
cd $NWCHEM_TOP/src
make link