Compiling NwChem 6.8.1 on Ubuntu 18.04 with OpenMPI 4.0 failed


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Quote:Edoapra Mar 22nd 10:01 am

  • 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


I make clean in distributive's directory and recompile it with aforementioned script. Testing it with the same input I obtain the same error.