| 5:24:37 PM PDT - Thu, May 30th 2013 |
|
Please do NOT define FFLAGS and FCFLAGS
|
André
Could you please do a "make realclean" and recompile without defining/setting
FFLAGS & FCFLAGS?
The NWChem makefile structure defines FFLAGS in a way that has been validated by the NWChem group testing procedure.
Please define the following env. variables, instead
SCALAPACK_SIZE=8
BLAS_SIZE=8
LAPACK_SIZE=8
SCALAPACK_LIB="-L$MKLROOT/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core \ -lmkl_blacs_intelmpi_ilp64 -lpthread -lm"
BLAS_LIB="-L$MKLROOT/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core \
-lmkl_blacs_intelmpi_ilp64 -lpthread -lm"
LAPACK_LIB="-L$MKLROOT/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core \ -lmkl_blacs_intelmpi_ilp64 -lpthread -lm"
Cheers, Edo
|