I have started from a new Nwchem****.tar
% cd <my path>/nwchem
% ./contrib/distro-tools/build_nwchem | tee build_nwchem.log
I thought that the script should point to the wrappers instead it points to the basename of the compilers:
MPI_F90 = gfortran
MPI_CC = gcc
MPI_CXX = c++
I have mpich2 in my PATH:
PATH=/soft/mpich2-1.4.1p1/install/bin:$PATH
export PATH
LD_LIBRABRY_PATH=${LD_LIBRARY_PATH}:/soft/mpich2-1.4.1p1/install/lib64
export LD_LIBRABRY_PATH
I am afraid that it takes amci and ga libraries from the root directory. Apparently, in previous attempts I did not have the correct setting ( had ARMCI_NETWORK=SOCKETS) and I did:
as user:
% cd nwchem-6.3-src.2013-05-28/src/tools/ga-5-2
% ./configure
% make
% make check
as root:
% make install
as user:
% make installcheck
Do I have to remove any libraries from the root directories?
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