National University of Singapore

Gaussian Gaussian 09 Revision C.01 is now available on atlas3 and atlas4, atlas5 clusters (EM64T systems).

Users can submit g09c01 jobs through LSF to linux64 and parallel queues.  Users are advised to put input files in a subdirectory in /hpctmp and submit jobs from there.  They need not specify the path for scratch files in their job input file as it will be automatically set.

Use LSF bsub command to the appropriate queue/cluster

1) Serial Jobs (atlas4 and atlas5):
bsub -q linux64 –m atlas4cluster -o test.o –e test.e  "/app1/common/bin/g09c01 < test.com > test.out"
bsub -q linux64 –m atlas5cluster -o test.o –e test.e  "/app1/common/bin/g09c01 < test.com > test.out"  

2) Shared Memory Parallel Jobs (atlas4, atlas5, atlas6, atlas7):

Add this as the first line in your input file:
%NProcShared=m
(m= 4 on atlas4, m=8 on atlas5, m=6 on atlas6 and m=12 on atlas7 clusters.  The program is also able to adjust automatically according to the system if you specify otherwise)

bsub -q atlas4_parallel -o test.o –e test.e  "/app1/common/bin/g09c01 < tests.com > test.out"
bsub -q atlas5_parallel -o test.o –e test.e  "/app1/common/bin/g09c01 < tests.com > test.out"
bsub -q atlas6_parallel -o test.o –e test.e  "/app1/common/bin/g09c01 < tests.com > test.out"
bsub -q atlas7_parallel -o test.o –e test.e  "/app1/common/bin/g09c01 < tests.com > test.out"

Support:
User manual is available online at the Gaussian web pages.  Also note the technical information and release notes.