nwchem-6.6 ifort, segmentation fault


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Hi Edoapra,

Actually I need to add some code to nwchem and then test, so I need to compile it on my side.

I tried the simple compiling as you suggested, but I got the following:

checking whether it is safe to define __EXTENSIONS__... yes
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
configure: error: ../../ga-5-4/comex/configure failed for comex
make[1]: *** [build/config.status] Error 1
make[1]: Leaving directory `/home/bobo/Softwares/nwchem-6.6/src/tools'
make: *** [libraries] Error 1

Not sure what does this mean. I have ga-5-4 installed and
[bobo@cerberus src]$ ls ../../ga-5-4b/comex/
aclocal.m4 config.h.in configure.ac libcomex.la Makefile src-common/ src-mpi-pr/ src-template/
build-aux/ config.log libarmcii.la .libs/ Makefile.am src-dmapp/ src-mpi-pt/ stamp-h1
compat/ config.status libarmci.la libtool Makefile.in src-mpi/ src-ofa/ testing/
config.h configure libcomexi.la m4/ src-armci/ src-mpi-mt/ src-portals4/ tools/

Thanks for your help.
Bobo