Problem building NWChem version 6.5 on IB cluster with MKL & IntelMPI

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1:45:35 PM PDT - Wed, May 20th 2015

executable not generated

Hello,

The compilation ended prematurely because of undefined references. The LD_LIBRARY_PATH is defined as you suggested in the modulefile.

Looking at the files which I have sent you I noticed that the LAPACK where not being found (this is from the log file):

configure: WARNING: LAPACK library not found, using internal LAPACK

I have therefore tried to add to my script the lines:

export LAPACK_LIBS="-L$MKLLIB -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lpthread -lm"

export LAPACK_CPPFLAGS="-DMKL_ILP64 -I$(MKLROOT)/include"

but the lapack are still not being found (notice MKL's LAPACK do not have anymore the work lapack in their names, unless I used libmkl_lapack95_ilp64.a).

Any suggestions?

Thanks,

Raffaella.