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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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For example, for 2 GPUs, a job which uses 2 CPUs control CPU processes would use the following Link 0 commands:
%CPU=0-1 #Control CPUs are included in this list.
%GPUCPU=0,1=0,1
Using 4 GPUs use the following Link 0 commandsand 4 control CPU processes:
%CPU=0-3 #Control CPUs are included in this list.
%GPUCPU=0,1,2,3=0,1,2,3
Using 4 GPUs and a total of 32 CPU processes and 4 control CPU processes :
%CPU=0-3 31 #Control CPUs are included in this list.
%GPUCPU=0,1,2,3=0,1,2,3
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