I try to build NWChem 6.3 from http://nwchemgit.github.io/download.php?f=Nwchem-6.3.revision25564-src.2014-05-03.tar.gz but got an error.
My OS is Fedora 23 and I already have nwchem 6.6 installed and worked. But I need nwchem 6.3.
There is a commands from building process what cause error:
$ cd /home/chem/Nwchem-6.3.revision25564-src.2014-05-03/src/tools/build/comex
$ /bin/sh ../../ga-5-2/comex/configure --disable-option-checking '--prefix=/home/chem/Nwchem-6.3.revision25564-src.2014-05-03/src/tools/install' '--with-tcgmsg' '--with-mpi=-I/usr/include/openmpi-x86_64 -L/usr/lib64/openmpi/lib -lfmpich -lmpich -lpmpich -lmpi /usr/lib64/openmpi' '--enable-peigs' '--enable-underscoring' '--disable-mpi-tests' '--without-scalapack' '--without-lapack' '--without-blas' '--with-mpi-ts' 'CC=cc' 'F77=gfortran' --cache-file=/dev/null --srcdir=../../ga-5-2/comex
last rows of output:
Quote:username ...
checking whether a simple C MPI program compiles... yes
configure: searching for MPI_TS...
checking mpi.h usability... yes
checking mpi.h presence... yes
checking for mpi.h... yes
checking for library containing MPI_Init... no
configure: error: test for COMEX_NETWORK=MPI_TS failed
but library libmpi.so have MPI_Init function. Why builder cant see this?
$ nm -D /usr/lib64/openmpi/lib/libmpi.so | grep MPI_Init
output:
Quote:username 00000000000658c0 W MPI_Init
0000000000065cd0 W MPI_Initialized
0000000000065ac0 W MPI_Init_thread
00000000000658c0 T PMPI_Init
0000000000065cd0 T PMPI_Initialized
0000000000065ac0 T PMPI_Init_thread
|