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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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The following versions have been installed:
| Version | Installation Path | modulefile |
|---|---|---|
| Modules for running on CPUs | ||
| Gaussian 16 Rev. C.02 | /sw/chem/gaussian/g16_C02/skl/g16 | gaussian/16.C02 |
| Gaussian 16 Rev. C.01 | /sw/chem/gaussian/g16_C01/skl/g16 | gaussian/16.C01 |
Modules for running on GPUs | ||
| Gaussian 16 Rev. C.02 | /sw/chem/gaussian/g16_C02/a100/g16 |
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Job submissions
Besides your Gaussian input file you have to prepare a job script to define the compute resources for the job; both input file and job script have to be in the same directory.
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