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Gaussian16 now installed

Posted: March 28, 2017

Gaussian16 and GaussView6 are now installed on CHPC resources.

For details of the use of this new version, please see https://www.chpc.utah.edu/documentation/software/gaussian16/index.php  and https://www.chpc.utah.edu/documentation/software/gaussview.php .   For additional information on this new release, see www.gaussian.com 

Note that with this version there are four different linux executables, corresponding to the presence of the SSE4, AVX, or AVX2 instruction sets (or none of the above).  The script provided at the above CHPC gaussian16 website has the logic to run the optimum version based on the node your job is assigned:

  1. E6L for when none of the instruction sets  listed are available (legacy, no longer needed on any of the CHPC resources)
  2. E64 for when  SSE4 is available (ember and lonepeak nodes)
  3. E6A for when AVX is available ( all tangent nodes, 16 and 20 core nodes on kingspeak and ash)
  4. E6B for when AVX2 is available (24 and 28 core nodes on kingspeak and ash)

Gaussian09 and Gaussview5 will remain available for use for the foreseeable future.

 

Last Updated: 3/28/17