Hi Edo,
I followed your instructions but at the step:
make FC=ifort link
I got:
ld: cannot find -l64to32
make: *** [link] Error 1
(see more details below).
I think I will re-unpack the nchem source and start from scratch. But should I not use the 64-bit integers?
Thanks,
Raffaella.
nwchem.F(463): (col. 11) remark: vectorization support: unaligned access used inside loop body
nwchem.F(463): (col. 11) remark: loop was not vectorized: vectorization possible but seems inefficient
ifort -i8 -align -vec-report6 -fimf-arch-consistency=true -O2 -g -fp-model source -Wl,--export-dynamic -L/u/local/downloads/nwchem/6.5/rev26243//lib/LINUX64 -L/u/local/downloads/nwchem/6.5/rev26243//src/tools/install/lib -o /u/local/downloads/nwchem/6.5/rev26243//bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lnwxc -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil /usr/lib64/python2.6/config/libpython2.6.so -L/u/local/compilers/intel/cs-2013-SP1-u1/composer_xe_2013_sp1.3.174/mkl/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lmkl_blacs_intelmpi_ilp64 -lpthread -lm -l64to32 -L/u/local/compilers/intel/cs-2013-SP1-u1/composer_xe_2013_sp1.3.174/mkl/lib/intel64 -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lpthread -lm -llapack -lblas -L/u/local/compilers/intel/impi/5.0.0.028/intel64/lib/release -L/u/local/compilers/intel/impi/5.0.0.028/intel64/lib -lmpifort -lmpi -lmpigi -ldl -lrt -lpthread -libumad -libverbs -lpthread -lnwcutil -lpthread -lutil -ldl -lz
ld: cannot find -l64to32
make: *** [link] Error 1
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