How far can I increase the memory and no. of. processors in gaussian 09W?

Syed Muhammad Saad @Syed-Saad-4

29 December 2023 1 6K Report

Processor: Intel(R) Xeon(R) CPU E5-1650 v2 @ 3.50GHz

Installed RAM: 32.0 GB

Cores: 6

Logical Processors: 12

Virtualization: Enabled

System type: 64-bit operating system, x64-based processor

With above configuration of workstation, how far can I increase the memory and no. of. processors in gaussian 09W to use the maximum resources and minimize the time of job?

Alexey N. Masliy

Dear Syed Muhammad Saad

Your question is not very clear, the keywords that define the resources for Gaussian that the program should use are described in the program documentation https://gaussian.com/link0/.

Regarding your question, this

%mem - maximum amount of using RAM. Do not forget to leave memory for the normal functioning of the OS, otherwise the calculation speed will only slow down.

%NProcShared - the number of processor cores used for the calculation. Specify only physical cores, in your case this is a maximum of 6.

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