8:47:22 PM PDT - Mon, Apr 20th 2020 |
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The calculation with the above input using NWCHEM7.0.0 on Ubuntu18.04 runs smoothly, but I do not know whether it can match experimental data.
I updated Mojave to Catlina, but encounted gethostname and other problem, and I went back to Mavericks, then upgraded to Majave, but still had gethostname problem. Since I forget how to edit hosts, I use Maveriks, which makes GAMESS binary up to 2019R2 running successfully, previsouly coupled cluster calculations becoming slower after GAMESS binary 2013 due to the upgrade of the operating system, and I will no longer compile NWCHEM and Dalton on Mac.
Very Best Regards!
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