| 12:26:33 PM PST - Wed, Feb 8th 2012 |
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Hi,
i'm trying to kompile on x86_64 using external blas/lapack libraries and see the following problem:
1. the link stage src/MakeFile line 51 does not seem to contain references to BLAS_LIB (nor BLASOPT nor SCALAPACK_LIB).
Even with BLAS_LIB set to, for example "-L/usr/lib/atlas -llapack -lf77blas -lcblas -latlas", it is not used at link stage.
Putting all blas/lapack (and scalapack linking lines) into MPI_LIB works and results with (Fedora 16):
gfortran ... nwchem nwchem.o ... -l64to32 -llapack -lblas -L/usr/lib64/openmpi/lib -L/usr/lib64/openmpi/lib -lmpi -lopen-pal -lopen-rte -lmpi_f90 -lmpi_f77 -L/usr/lib64/atlas -llapack -lf77blas -lcblas -latlas
Note that one still is unable to post on the forum the "kompile" word spelled with c.
It's possible to have compile
at the end of the line.
Marcin
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