Yes,
The files you report are the one that one expects to see at the end of a successful compilation.
The "parallel" file is no longer used, since NWChem is launched using mpirun as any other MPI based application
Quote:Alexdiazortiz Jul 13th 1:38 amWhile 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 |