| 8:50:00 PM PST - Wed, Jan 15th 2020 |
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When compiling NWCHEM release-7-0-0, after the following has been exported,
USE_MPI=y
NWCHEM_TARGET=LINUX64
USE_PYTHONCONFIG=y
PYTHONVERSION=2.7
PYTHONHOME=/usr
BLASOPT="-lopenblas -lpthread -lrt"
BLAS_SIZE=4
USE_64TO32=y
• Compilation steps
make nwchem_config NWCHEM_MODULES="all python"
the error appeared
config/makefile.h:221: /home/hp/computation3/mwchem6.8/src/config/nwchem_config.h: nu such a file
config/makefile.h:2736: *** Please define LAPACK_LIB if you have defined BLASOPT or BLAS_LIB
How to do the compilation?
Very Best Regard!
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