Volume 5, Number 2
Gaussian 03D on Redwood
During this week's Redwood upgrade, Gaussian was also updated from Version 03 Release C to Version 03 Release D. This revision was tested on Redwood with a number of different jobs over the week, including Hartree-Fock, Coupled Cluster, Density Functional, and Many-Body Pertubative calculations of various memory sizes and CPU quantities. PBS jobs that were running as G03c jobs before the upgrade resumed running as G03d jobs this week, so if you experience any peculiarities in your jobs, please keep this in mind. Future jobs should be submitted just as usual, with the g03sub command.
Bug fixes, new features, and feature changes from revision C.01 to revision D.01 may be found in the online Gaussian 03 Release Notes. Revision D.01 was compiled on Redwood using Math Kernel Library (MKL) 7.2.1, Intel Fortran Compiler Version 8.1 (build 20050518 l_fc_pc_8.1.028) and Intel C++ Compiler Version 8.1 (build 20050518 l_cc_pc_8.1.032).