Dear developers!
I have to offer my apologies for sending you PM but I don't know how to start a new discussion.
Please, help me with the problems during NWChem (version 6.5) compilation.
System: Red Hat Linux 7.0
compilators: gfortran, gcc
path to compilators:/usr/bin
openmpi has been installed
Nwchem 6.5 is planned to be compiled on personal linux with 8 cores.
I do the following actions:
1. download NWChem files from the source and export them.
2. export PATH=$PATH:/usr/bin
export NWCHEM_TOP=/usr/local/Nwchem-6.5
export NWCHEM_TARGET=LINUX64
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_LOC=/usr/lib64/openmpi
export MPI_LIB=$MPI_LOC/lib
export LIBMPI="-lmpi_f90 -lmpi_f77 -lmpi -lpthread"
export NWCHEM_MODULES="all"
export CC=gcc
export FC=gfortran
3. cd $NWCHEM_TOP/src
make nwchem_config
make >&make.log
After all I get make.log in Nwchem-6.5/src folder wth the following content :
test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64
test -d /usr/local/Nwchem-6.5/lib/LINUX64 || mkdir -p /usr/local/Nwchem-6.5/lib/LINUX64
Making libraries in tools
test -d /usr/local/Nwchem-6.5/bin/LINUX64 || mkdir -p /usr/local/Nwchem-6.5/bin/LINUX64
./util/util_nwchem_version.bash
which: no svn in (/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:/usr/bin)
make[1]: warning: in the sub-Makefile forced by -jN; server mode tasks denied
rm -f ./*.CC.stamp
echo "" > cc.CC.stamp
Configuring Parallel Tools ****
which: no svn in (/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:/usr/bin)
../ga-5-3/configure --prefix=/usr/local/Nwchem-6.5/src/tools/install --with-tcgmsg --with-mpi=-L/usr/lib64/opemmpi/lib -lmpi_f90 -lmpi_f77 -lmpi -lpthread /usr/lib64/opemmpi --enable-peigs --enable-underscoring --disable-mpi-tests --without-scalapack --without-lapack --without-blas --with-mpi-ts CC=cc F77=gfortran FFLAGS=-fno-aggressive-loop-optimizations ARMCI_DEFAULT_SHMMAX_UBOUND=131072
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... /usr/bin/mkdir -p
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
checking whether make supports nested variables... 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... yes
checking for C compiler default output file name... a.out
checking for suffix of executables...
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether we are using the GNU C compiler... yes
checking whether cc accepts -g... yes
checking for cc option to accept ISO C89... none needed
checking dependency style of cc... gcc3
checking how to run the C preprocessor... cc -E
checking for grep that handles long lines and -e... /usr/bin/grep
checking for egrep... /usr/bin/grep -E
checking for ANSI C header files... yes
checking for sys/types.h... yes
checking for sys/stat.h... yes
checking for stdlib.h... yes
checking for string.h... yes
checking for memory.h... yes
checking for strings.h... yes
checking for inttypes.h... yes
checking for stdint.h... yes
checking for unistd.h... yes
checking minix/config.h usability... no
checking minix/config.h presence... no
checking for minix/config.h... no
checking whether it is safe to define __EXTENSIONS__... yes
checking for C compiler vendor... gnu
configure: WARNING: /usr/lib64/opemmpi of with_mpi not parsed
checking whether a simple C MPI program compiles... no
configure: error: in `/usr/local/Nwchem-6.5/src/tools/build':
configure: error: could not compile simple C MPI program
See `config.log' for more details
make[1]: *** [build/config.status] error 1
make: *** [libraries] error 1
Thank you in advance for your help and patience.
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