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==Running Gaussian on Graham and Cedar== <!--T:6--> | ==Running Gaussian on Graham and Cedar== <!--T:6--> | ||
Gaussian g16.b01, g16.a03, g09.e01 and g03.d01 are installed on Graham | Gaussian g16.b01, g16.a03, g09.e01 and g03.d01 are installed on the Graham and Cedar clusters and are available through the [[Utiliser_des_modules | modules system]]. You should load the required version in your job script as shown in the mysub.sh example below. | ||
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===Job submission=== <!--T:7--> | ===Job submission=== <!--T:7--> | ||
The national clusters use the Slurm scheduler; for details about submitting jobs, see [[Running jobs]]. | |||
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There are two options to run your Gaussian job on Graham based on the location of the default runtime files and the job size. | There are two options to run your Gaussian job on Graham and Cedar, based on the location of the default runtime files and the job size. | ||
====G16 (G09, G03)==== <!--T:10--> | ====G16 (G09, G03)==== <!--T:10--> | ||
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=== Interactive jobs === <!--T:26--> | === Interactive jobs === <!--T:26--> | ||
You can run interactive Gaussian job for testing purpose on Graham. It's not a good practice to run interactive Gaussian jobs on a login node. You can start an interactive session on a compute node with salloc, the example for an hour, 8 cpus and 10G memory Gaussian job is like | You can run interactive Gaussian job for testing purpose on Graham and Cedar. It's not a good practice to run interactive Gaussian jobs on a login node. You can start an interactive session on a compute node with salloc, the example for an hour, 8 cpus and 10G memory Gaussian job is like | ||
Goto the input file directory first, then use salloc command: | Goto the input file directory first, then use salloc command: | ||
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