No rule to make NWCHEM target
Forum Vet
8:50:00 PM PST - Wed, Jan 15th 2020
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!

Forum Vet
11:49:24 AM PST - Thu, Jan 16th 2020
Please read the following wiki page
https://github.com/nwchemgit/nwchem/wiki/Compiling-NWChem#optimized-math-libraries

Newafter commit 6b0a971: If BLASOPT is defined, the LAPACK_LIB environment variable must be set up, too. LAPACK_LIB must provide the location of the library containg the LAPACK toutines.

Forum Vet
3:27:24 AM PST - Wed, Jan 29th 2020
Thanks a lot for your reply.

I will try to find the specific path.

Very Best Regards!


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