Here's the error after running make FC=ifort link.
nwchem.F(663): (col. 16) remark: BLOCK WAS VECTORIZED
nwchem.F(666): (col. 13) remark: vectorization support: reference status has unaligned access
nwchem.F(666): (col. 13) remark: vectorization support: reference __STRLITPACKVAR_161 has unaligned access
nwchem.F(666): (col. 13) remark: vectorization support: unaligned access used inside loop body
nwchem.F(666): (col. 13) remark: loop was not vectorized: vectorization possible but seems inefficient
nwchem.F(666): (col. 13) remark: vectorization support: reference status has unaligned access
nwchem.F(666): (col. 13) remark: vectorization support: unaligned access used inside loop body
nwchem.F(666): (col. 13) remark: BLOCK WAS VECTORIZED
nwchem.F(460): (col. 10) remark: vectorization support: reference cstart has unaligned access
nwchem.F(460): (col. 10) remark: vectorization support: reference __STRLITPACKVAR_103 has unaligned access
nwchem.F(460): (col. 10) remark: vectorization support: unaligned access used inside loop body
nwchem.F(460): (col. 10) remark: loop was not vectorized: vectorization possible but seems inefficient
nwchem.F(463): (col. 11) remark: vectorization support: reference cstart has unaligned access
nwchem.F(463): (col. 11) remark: vectorization support: reference __STRLITPACKVAR_102 has unaligned access
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
nwchem.F(465): (col. 11) remark: vectorization support: reference cstart has unaligned access
nwchem.F(465): (col. 11) remark: vectorization support: reference __STRLITPACKVAR_101 has unaligned access
nwchem.F(465): (col. 11) remark: vectorization support: unaligned access used inside loop body
nwchem.F(465): (col. 11) remark: loop was not vectorized: vectorization possible but seems inefficient
ifort -i8 -align -fpp -vec-report6 -fimf-arch-consistency=true -finline-limit=250 -O2 -g -fp-model source -I. -I/share/apps/nwchem-6.6/nwchem-6.6/src/include -I/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/include -DEXT_INT -DLINUX -DLINUX64 -DIFCV8 -DIFCLINUX -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/share/apps/nwchem-6.6/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'" -c -o stubs.o stubs.F
make[1]: Leaving directory `/share/apps/nwchem-6.6/nwchem-6.6/src'
ifort -i8 -align -fpp -vec-report6 -fimf-arch-consistency=true -finline-limit=250 -O2 -g -fp-model source -Wl,--export-dynamic -L/share/apps/nwchem-6.6/nwchem-6.6/lib/LINUX64 -L/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib -o /share/apps/nwchem-6.6/nwchem-6.6/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 -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil /share/apps/python/lib64/python2.7/config/libpython2.7.so -L/share/apps/nwchem-6.6/OpenBLAS-RK/lib/ -lopenblas -lpthread -lrt -lnwclapack -lnwcblas -L/share/apps/mpi/mvapich2-2.2b_intel2013/lib -lmpifort -Wl -rpath --enable-new-dtags -lmpi -libverbs -lrt -lpthread -lnwcutil -lpython2.7 -lpthread -ldl -lutil -lm
ifort: error #10236: File not found: '/share/apps/python/lib64/python2.7/config/libpython2.7.so'
ifort: command line warning #10157: ignoring option '-W'; argument is of wrong type
ifort: command line warning #10006: ignoring unknown option '-rpath'
ifort: command line warning #10006: ignoring unknown option '-fenable-new-dtags'
make: *** [link] Error 1
Do I have to deal with python library or you have any suggestion ?
Rangsiman
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