
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: