National University of Singapore

The above Gaussian release from Gaussian, Inc is available on atlas3 and atlas4 clusters and the Itanium2 systems (cougar1 to cougar5 ).

Users can submit Gaussian G03 jobs through LSF to the above hosts, via ia64 or ia64_4p queue (for Itanium2 systems), mcore_parallel queue (for atlas3 cluster) and quad_parallel or quad_large queues (for atlas4 cluster). You should submit your jobs from your home directory or /lsftmp and don't specify the path for the scratch directory and  the scratch files in your input files, as the program will take the default settings in the system.

Note: Please run large jobs on cougar or atlas3 cluster. Avoid using atlas4 for large jobs.

To submit to Itanium2 systems:

• bsub -q ia64 -o test1.txt "g03 < test1.com > test1.out"
• bsub -q ia64_4p -o test1.txt "g03 < test1.com > test1.out"

To submit to the atlas3 cluster:

• bsub -q mcore_parallel -o test2.txt "g03 < test2.com > test2.out"

To submit to the atlas4 cluster:

• bsub -q quad_parallel -o test2.txt "g03 < test2.com > test2.out"
• bsub -q quad_large -o test2.txt "g03 < test2.com > test2.out"

Please carefully note the following terms of our G03/Gaussview academic license.  Your usage of G03/Gaussview implies your acceptance/compliance:

1. Usage by NUS staff & students only, on servers within NUS campus.
2. Follow the citation requirement.
3. No attempt is made to change the source code or reverse engineer the executables.

SVU also has installed Gaussian Linda, a parallel, distributed version of Linda. Please refer to this link for information Gaussian Linda

For queries and feedback, please email . Thank you.