...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24845 85dd5168-0e29-45a6-bdf9-2122c44e486f
...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24846 85dd5168-0e29-45a6-bdf9-2122c44e486f
...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24847 85dd5168-0e29-45a6-bdf9-2122c44e486f
...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24848 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: Added timings to the DFT CGMIN optimizer for benchmarking.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24849 85dd5168-0e29-45a6-bdf9-2122c44e486f
...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24850 85dd5168-0e29-45a6-bdf9-2122c44e486f
...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24851 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: Turned echo back on.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24852 85dd5168-0e29-45a6-bdf9-2122c44e486f
...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24853 85dd5168-0e29-45a6-bdf9-2122c44e486f
...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24854 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: The ld argument on two ga_put calls were missing causing segmentation
faults. This happened when compiling with the Intel compilers and affected
the h2o-response, h2o_raman_3 and h2o_raman_4 test cases on the EMSL 
Cascade machine.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24855 85dd5168-0e29-45a6-bdf9-2122c44e486f
...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24856 85dd5168-0e29-45a6-bdf9-2122c44e486f
memory

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24857 85dd5168-0e29-45a6-bdf9-2122c44e486f
memory

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24858 85dd5168-0e29-45a6-bdf9-2122c44e486f
memory

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24859 85dd5168-0e29-45a6-bdf9-2122c44e486f
memory

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24860 85dd5168-0e29-45a6-bdf9-2122c44e486f
debug

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24861 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: Whitespace.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24862 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: Missing argument to dcopy. This caused segmentation faults when compiling
with the Intel compilers and running QA jobs like dplot. The problem was noted
on Cascade.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24863 85dd5168-0e29-45a6-bdf9-2122c44e486f
..EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24864 85dd5168-0e29-45a6-bdf9-2122c44e486f