| 2:34:33 AM PDT - Mon, Jul 13th 2015 |
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Hi,
I selected Scalapack because I want to build NWChem for MPI (intel MPI to be precise). Should I understand that unselecting scalapack but defining all the MPI-related variables will still build a nwchem with MPI support?
Best,
Alejandro
Quote:Edoapra Jul 10th 5:27 pmThe configure script cannot find the blas library since your BLASOPT definition includes Scalapack and this definition requires MPI libraries for a successful link process.
export BLASOPT="-L${MKLROOT}/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lmkl_blacs_intelmpi_ilp64 -lpthread -lm"
My suggestion is to use the following BLASOPT definition (that I got from the very same Intel Adviso website you mentioned by unselecting the Scalapack component)
e
xport BLASOPT="-Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_ilp64.a ${MKLROOT}/lib/intel64/libmkl_core.a ${MKLROOT}/lib/intel64/libmkl_sequential.a -Wl,--end-group -lpthread -lm"
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