From NWChem
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| 2:59:42 AM PST - Fri, Jan 19th 2018 |
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When I compile nwchem 6.8 for KNL using MCDMEM (i.e. FASTMEM=T) , it tried to link to a library libmemkind which has not been documented in the build instruction. Can you update the compilation instruction?
ifort -i8 -align -fpp -qopenmp -qopt-report-phase=openmp -qno-openmp-offload -fimf-arch-consistency=true -align array64byte -finline-limit=250 -O2 -g -fp-model source -L/home/users/astar/ihpc/chiensh/nwchem-6.8/lib/LINUX64 -L/home/users/astar/ihpc/chiensh/nwchem-6.8/src/tools/install/lib -o /home/users/astar/ihpc/chiensh/nwchem-6.8/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 -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -mkl -qopenmp -lmkl_scalapack_ilp64 -lmkl_blacs_intelmpi_ilp64 -mkl -qopenmp -lmkl_scalapack_ilp64 -lmkl_blacs_intelmpi_ilp64 -mkl -qopenmp -mkl -qopenmp -lnwcblas -L/home/users/app/intel_psxe_2016_update4/compilers_and_libraries_2016.4.258/linux/mpi/intel64/lib/release_mt -L/home/users/app/intel_psxe_2016_update4/compilers_and_libraries_2016.4.258/linux/mpi/intel64/lib -L/home/users/app/intel_psxe_2016_update4/compilers_and_libraries_2016.4.258/linux/mpi/intel64/lib -lmpifort -lmpi_ilp64 -lmpi_mt -lmpi -lpthread -lrt -lpthread -lpthread -lmemkind
ld: cannot find -lmemkind
make: *** [all] Error 1
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