Gaussian

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G16NBO is currently configured with only 100000000 words Errors

If you encounter errors when you use NBO7 with Gaussian G16a

This calculation is attempting to allocate 299857248 words of scratch memory,
but G16NBO is currently configured with only 100000000 words. If you have the
NBO6 source distribution, you can reconfigure G16NBO by editing maxmem.fh in
nbo6/src/g16nbo/include and rebuilding the executables.

Dynamic memory allocation in the GenNBO, G09NBO, and G16NBO interfaces to NBO7 has been implemented. The issue has been fixed with the latest download from NBO7 site.

Remember to update  gennbo.sh at your NBO directory

# Examples:

# setenv NBOMEM 50mw
# setenv NBOMEM 512mb
# setenv NBOMEM 1gb

setenv NBOMEM 1gb

References:

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“Command not found” Errors encountered in Gaussian G16

If you encountered errors when running Gaussian

bash: gview.sh: command not found

OR

bash: g16: command not found

OR

$g16/bsd/g16.profile: Permission denied

Usually it is due to the fact that the user is not in the Gaussian permission group.

Your GV and G16 folders should be in a unique Gaussian group. I have created a Gaussian Group called hpc_g16_group and put all the Gaussian users inside this group. Make sure the entire folder and sub folder of g16 and gv is using the same g16 group

drwxr-x--- 6 admin hpc_g16_group 4492 Aug 27 2019 g16
drwxr-x--- 10 admin hpc_g16_group 391 Feb 18 2019 gv