Compilation with OpenMPI


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10:40:44 PM PDT - Wed, Apr 5th 2017
Quote:Edoapra Apr 5th 6:22 pm
Nothing looks suspicious to me.
Could you do the following
cd $NWCHEM_TOP/src/tools/build
make clean
make >& make.log
make install
cd ../..
make FC=ifort >& link.log
Please upload make.log and link.log afterwards



Hi Edo,
Thank you for your reply!
Basically I have repeat the same procedure for few times, I think the source of problem is in building GA, as you can see below, "ARMCI_INIT_HANDLE" is undefined in libga.a 

[chiensh@stratus lib]$ pwd

/home/users/astar/ihpc/chiensh/nwchem-openmpi/src/tools/install/lib

[chiensh@stratus lib]$ ls

libarmci.a  libarmci.la  libcomex.a  libcomex.la  libga.a  libga.la

[chiensh@stratus lib]$ nm libga.a |grep ARMCI_INIT

                 U ARMCI_INIT_HANDLE

                 U ARMCI_INIT_HANDLE

For the libga.a that was built by intel mpi, ARMCI_INIT_HANDLE is correctly handled by the pre processor
[chiensh@stratus lib]$ cd /home/users/astar/ihpc/chiensh/nwchem-mpipr/src/tools/install/lib

[chiensh@stratus lib]$ ls

libarmci.a  libarmci.la  libcomex.a  libcomex.la  libga.a  libga.la

[chiensh@stratus lib]$ nm libga.a |grep ARMCI_INIT

[chiensh@stratus lib]$

Here is the build-make.log and link.log
https://goo.gl/Ba6tXM

BTW can you take a look of my another post about (T) calculation cannot finish? I can release it to users for production calculations on this system if any one of these versions is working, but seems that none of them work correctly.
http://nwchemgit.github.io/Special_AWCforum/st/id2292/#post_8071

Thanks!