| 2:38:29 AM PDT - Mon, Jul 13th 2015 |
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While building NWChem with my initial options, it failed to find the MKL BLAS, but used instead the BLAS from NWChem, and finished the compilation without errors. The binaries it produced are
$NWCHEM_TOP/bin/$NWCHEM_TARGET/nwchem
$NWCHEM_TOP/bin/$NWCHEM_TARGET/depend.x
notice that there are no "parallel" file.
with the following static libraires
$NWCHEM_TOP/lib/$NWCHEM_TARGET/
libanalyze.a libcphf.a libetrans.a libnwctask.a libnwxc.a libproperty.a libspace.a
libband.a libdangchang.a libgradients.a libnwcutil.a libofpw.a libpspw.a libstepper.a
libblas.a libddscf.a libguess.a libnwdft.a liboptim.a libqhop.a libtce.a
libbq.a libdntmc.a libhessian.a libnwints.a libpaw.a libqmd.a libvib.a
libcafe.a libdplot.a liblapack.a libnwmd.a libpeigs.a libqmmm.a libvscf.a
libccca.a libdrdy.a libmcscf.a libnwpw.a libperfm.a librimp2.a
libccsd.a libdriver.a libmoints.a libnwpwlib.a libpfft.a libselci.a
libcons.a libesp.a libmp2.a libnwpython.a libprepar.a libsolvation.a
Is this the expected output for both bin and lib?
Best,
Alejandro
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