| 4:37:24 AM PST - Wed, Dec 21st 2011 |
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Hi,
8. in the process of building of http://nwchemgit.github.io/images/Nwchem-src-2011-Oct-25.tar.gz
on several Linuxes I noticed a potential problem in ga-5-0 configure (src/tools/ga-5-0/configure)
that causes configure to fail (fails on EL5, openSUSE 11.3-12.1, maybe on others).
When compiling the c program (at line 6149) configure fails with:
configure: error: could not kompile simple C MPI program,
and config.log says:
conftest.c:31:17: error: mpi.h: No such file or directory
This has been reported at
http://www.linuxquestions.org/questions/linux-software-2/compiling-nwchem-with-openmpi-909...
(i had to replace comp. by kompile above as the forum does not allow that word!
the mechanism of posting messages on the forum needs improvement,
or at lest a manual with what is allowed to type and what is not)
This problem can be hacked by adding the MPI include directory to CPPFLAGS (for C) and FFLAGS (for fortran):
sed -i "s#CONFIGURE_PATH = #CONFIGURE_PATH = CPPFLAGS=-I\${MPI_INCLUDE} FFLAGS=-I\${MPI_INCLUDE} #g" src/tools/GNUmakefile
The 2011-Oct-25 version has been built using this hack and is available as RPM:
https://build.opensuse.org/package/show?package=nwchem-dev&project=home%3Amarcindulak
In the process of preparing the next NWchem release,
please consider (a better solution) to the point 8.,
in addition to fixes suggested in points 1., 2., and 3. above.
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