v6.8.1 error in ddot intel compiler
Clicked A Few Times
4:21:18 PM PDT - Tue, Jul 16th 2019
Hi All,

I have encountered a compilation error in this directory

/data/opt/groups/perdew/nwchem-6.8.1/src/nwpw/nwpwlib/ion


ion.F:4768.18:

          dotval=ddot(nat3,vc(1,J),1,vc(1,i),1)                        

                 1
Error: Function 'ddot' at (1) has no IMPLICIT type


I am using NWCHEM_TARGET=LINUX64, NWCHEM_MODULES=all
intel-compiler/15.0.3
mpi/openmpi/2.1.1
intel-libs/2017.4.196
scalapack/2.0.2-intel

Using my environment I am able to successfully compile and run when I only compile the qm part NWCHEM_MODULES=qm

If anyone has ideas to solve this issue please let me know.

Thanks you,
Biswajit

Forum Vet
9:35:44 AM PDT - Wed, Jul 17th 2019
cd /data/opt/groups/perdew/nwchem-6.8.1/src/nwpw/
make 64_to_32
make FC=ifort
cd ..
make FC=ifort link

Clicked A Few Times
4:04:10 PM PDT - Wed, Jul 17th 2019
Thanks a lot. Not sure how I missed that.

Forum Vet
9:39:56 AM PDT - Thu, Jul 18th 2019
You missed because your first did make nwchem_config NWCHEM_MODULES=qm, then
set NWCHEM_MODULES=all, without redoing make nwchem_config<tt>. This is what you should have done, instead

make nwchem_config NWCHEM_MODULES=all
make 64_to_32
make FC=ifort


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