Problems compiling nwchem with openSUSE, gcc, openmpi


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Can you send the tools/build/config.log to bert.dejong@pnl.gov .

Have you tried just typing gcc or "which gcc" to see if the configure script can actually find the compiler?

Bert


Quote:Jwkeller Jul 16th 7:26 pm
Hi,
The following environment variables were set:

export NWCHEM_TOP=/usr/local/nwchem-6.1.1
export NWCHEM_TARGET=LINUX64
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export LIBMPI "-lmpi_f90 -lmpi_f77 -lmpi -ldl -Wl,--export-dynamic -lnsl -lutil"
export MPI_LOC=/usr/lib64/mpi/gcc/openmpi/bin
export MPI_LIB=/usr/lib64/mpi/gcc/openmpi/lib64
export MPI_INCLUDE=usr/lib64/mpi/gcc/openmpi
export NWCHEM_MODULES="all"
export USE_NOFSCHECK=TRUE
export FC=gfortran
export CC=gcc

Then I did
> cd NWCHEM_TOP/src
> make realclean;
> make >& make.log

In the resulting make.log file, lines 31-end are as follows:

make[1]: warning: -jN forced in submake: disabling jobserver mode.

      • Configuring Parallel Tools ****

../ga-5-1/configure --prefix=/usr/local/nwchem-6.1.1/src/tools/install --with-tcgmsg --with-mpi=-Iusr/lib64/mpi/gcc/openmpi -L/usr/lib64/mpi/gcc/openmpi/lib64 -lmpi /usr/lib64/mpi/gcc/openmpi/bin --enable-peigs --enable-underscoring --disable-mpi-tests --without-scalapack --without-lapack --without-blas CC=gcc F77=gfortran
checking build system type... x86_64-unknown-linux-gnu
checking host system type... x86_64-unknown-linux-gnu
checking for TARGET base (64bit-ness checked later)... LINUX
checking whether we think this system is what we call SYSV... yes
checking whether we are cross compiling... no
checking for a BSD-compatible install... /usr/bin/install -c
checking whether build environment is sane... yes
checking for a thread-safe mkdir -p... /bin/mkdir -p
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
checking whether to enable maintainer-specific portions of Makefiles... no
configure: Detected VPATH build
configure:
configure: C compiler
configure:
checking for style of include used by make... GNU
checking whether the C compiler works... no
configure: error: in `/usr/local/nwchem-6.1.1/src/tools/build':
configure: error: C compiler cannot create executables
See `config.log' for more details
make[1]: *** [build/config.status] Error 1
make: *** [libraries] Error 1

There is probably something dumb I am doing as a nwchem/linux newbie here. Can I send the make.log and config.log files to try and glean a clue about what to do next?
John Keller