Dear all,
I've finally got the update for the ener() replacement into the
codebase. Please see the comments in the state.f for more information.
I've tested this in serial and parallel (np=2 and np=4) using ifort
10.1.018 and mpich2-1.0.7 and things are looking good, in that I have
not created any new fails. I've also carried out these tests with
gfortran 4.4.3 . All tests were done on a RHEL4.8 x86_64 machine.
If there are any problems or issues please get back to me.
--
Mark Williamson, Post Doc
Walker Molecular Dynamics Group
Room 395E
San Diego Supercomputer Center
9500 Gilman Drive
La Jolla, CA 92093-0505
Email: mjw at sdsc.edu
Office: 858-246-0827
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Received on Fri Mar 19 2010 - 11:30:03 PDT
