Running jobs on Tesla Cluster
G09 software can be used only in parallel mode on the tesla cluster.
Environmental set up for Tesla1:
The Gaussian 09 system includes paths and initialization files to set up user environment for running the program. The paths to be set are
The Gaussian 09 on the Tesla cluster, supports parallel processing. You may specify the default number of processors to use in the Default.Route file in your current working directory. For example the following command sets the default number of processors to 4:
To override the default no of processors the following command should be used as the first line in your input file.
The above command sets the number of processors to be used to 8
Note: Whatever number of processors is mentioned in the Default.Route file or using the %nproc directive in the input file, that number should also be specified in the PBS command file using the ncpus directive.
To run the Gaussian 09 jobs in batch mode set up the environment as above,
create a PBS command file as follows:
#PBS -l ncpus=14
#PBS -S /bin/csh
g09 < /home/localscratch/seccom/benzene.com >
where benzene.com is the input file to Gaussian 09
Gaussian 09 links /help
Report problems to:
For any problems with respect to G09 software send email to firstname.lastname@example.org or contact system administrators at #103, SERC.