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Auszug

a computational chemistry application provided by Gaussian, Inc.

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Please contact support with a copy of the following statement, to add your user ID to the Gaussian UNIX group.

Limitations

Gaussian 16 is available at NHR@ZIB. 

"Linda parallelism", Cluster/network parallel execution of Gaussian, is not supported at any of our systems. Only "shared-memory multiprocessor parallel execution" is supported, therefore no Gaussian job can use more than a single compute node.

Description

Gaussian 16 is the latest in the Gaussian series of programs. It provides state-of-the-art capabilities for electronic structure modeling. 

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~ $ salloc -t 00:10:00 -p gpu-a100 -N1  N1 --ntasks=32 

~ $ g16 filename.com 

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