Ciao Edo,
Thanks for your reply.
Yes, the MPILIB were off, I changed them to:
export LIBMPI="-L$MPI_LIB -lmpi_f90 -lmpi_f77 -lmpi -ldl -Wl,--export-dynamic -lnsl -lutil"
and place the IB one in:
export IB_LIB_NAME="-lrdmacm -libumad -libverbs -ldl -lpthread -lm -Wl,--export-dynamic -lrt -lnsl -lutil"
(a little redundant).
However now I get a segmentation violation:
Making all in md5
make[2]: warning: -jN forced in submake: disabling jobserver mode.
icc -DMKL_ILP64 -c -I. -I/u/local/downloads/nwchem/nwchem-6.1/src/include -I/u/local/downloads/nwchem/nwchem-6.1/src/tools/install/include -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/u/local/downloads/nwchem/nwchem-6.1'" -DNWCHEM_BRANCH="'6.1'" -DJOBTIMEPATH=\"/u/local/downloads/nwchem/nwchem-6.1/bin/LINUX64\" -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -O0 -g -g -o md5wrap.o md5wrap.c
icc -DMKL_ILP64 -c -I. -I/u/local/downloads/nwchem/nwchem-6.1/src/include -I/u/local/downloads/nwchem/nwchem-6.1/src/tools/install/include -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/u/local/downloads/nwchem/nwchem-6.1'" -DNWCHEM_BRANCH="'6.1'" -DJOBTIMEPATH=\"/u/local/downloads/nwchem/nwchem-6.1/bin/LINUX64\" -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -O0 -g -g -o md5.o md5.c
icc: command line warning #10006: ignoring unknown option '-ffast-math'
icc: command line warning #10120: overriding '-O3' with '-O0'
icc: command line warning #10006: ignoring unknown option '-ffast-math'
icc: command line warning #10120: overriding '-O3' with '-O0'
make[3]: warning: -jN forced in submake: disabling jobserver mode.
Got lock on /u/local/downloads/nwchem/nwchem-6.1/lib/LINUX64/libnwcutil.lock
ar r /u/local/downloads/nwchem/nwchem-6.1/lib/LINUX64/libnwcutil.a md5wrap.o md5.o
ranlib /u/local/downloads/nwchem/nwchem-6.1/lib/LINUX64/libnwcutil.a
/u/local/downloads/nwchem/nwchem-6.1/lib/LINUX64/libnwcutil.a
ifort: error #10106: Fatal error in /u/local/compilers/intel/11.1/080/bin/intel64/fortcom, terminated by segmentation violation
compilation aborted for util_version.F (code 1)
make[1]: *** [/u/local/downloads/nwchem/nwchem-6.1/lib/LINUX64/libnwcutil.a(util_version.o)] Error 1
make: *** [libraries] Error 1
I am not sure if the problem above is related to the intel compiler.
I will now remove "-i8" from the FC definition (should I also remove "-DMKL_ILP64" from CC?) and try again. I will post any outcome.
Do you know of anyone who built nwchem successfully with the particular version of the intel compiler I am using (11.1.080)? I could try the 12.1 version fo the compiler.
Thanks,
Raffaella.
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