| 6:34:32 PM PDT - Mon, Jul 30th 2012 |
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After I set FC=gfortran, I got error as following:
make[1]: warning: -jN forced in submake: disabling jobserver mode.
gfortran -fdefault-integer-8 -Wextra -Wuninitialized -g -O -I. -I/home/fan_group/nwchem-6.1.1/src/include -I/home/fan_group/nwchem-6.1.1/src/tools/install/include -DEXT_INT -DLINUX -DLINUX64 -DGFORTRAN -DCHKUNDFLW -DGCC4 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/home/fan_group/nwchem-6.1.1'" -DNWCHEM_BRANCH="'6.1.1'" -c -o nwchem.o nwchem.F
gfortran -fdefault-integer-8 -Wextra -Wuninitialized -g -O -I. -I/home/fan_group/nwchem-6.1.1/src/include -I/home/fan_group/nwchem-6.1.1/src/tools/install/include -DEXT_INT -DLINUX -DLINUX64 -DGFORTRAN -DCHKUNDFLW -DGCC4 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/home/fan_group/nwchem-6.1.1'" -DNWCHEM_BRANCH="'6.1.1'" -c -o stubs.o stubs.F
gfortran -L/home/fan_group/nwchem-6.1.1/lib/LINUX64 -L/home/fan_group/nwchem-6.1.1/src/tools/install/lib -o /home/fan_group/nwchem-6.1.1/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 -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -lpeigs -lperfm -lcons -lbq -lnwcutil -L/home/fan_group/intel/mkl/10.2.5.035/lib/em64t -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lmkl_lapack -llapack -lblas -L/opt/mpich2/gnu/lib -lmpi_f90 -lmpi_f77 -lmpi -ldl -Wl,--export-dynamic -lnsl -lutil
/usr/bin/ld: cannot find -lmpi_f90
collect2: ld returned 1 exit status
make: *** [all] Error 1
Quote:Edoapra Jul 30th 6:24 pmSince you have set FC=/opt/mpich2/gnu/bin/mpif90, the NWChem makefile structure gets confused and tries the -i8 option.
Please set
FC=gfortran
since gfortran is recognized by the NWChem makefile structure.
Cheers, Edo |