WEbMO enterprise 23.
Formerly, mopac2016 would automatically use the maximum number of processor cores available, even though the "cores" box read only "1".
Now with openmopac, the cores box still reads "1" but calculations are using only 1 proc. If I enter "16", I get "Specified number of processors /nodes is greater than (1)." There is no place to enter processor min, max, or default in the mopac page in Interface Manager. I have tried editing webmo server's /home/webuser/cgi-bin/webmo/interfaces/mopac.int file, with 1, 20, and 4 for nodesMin, etc and ppnMin, etc. No effect.
Openmopac using only 1 proc
Re: Openmopac using only 1 proc
This was a recent change. I'll fix the admin page in the next release so this can be more easily specified.
That said, your solution SHOULD work fine. Note that if you are using separate remote servers (or batch queues) these core limits are specified in different config files (under ./servers or ./queues) for each server/queue. In other words, you may need to edit this in a different place.
That said, your solution SHOULD work fine. Note that if you are using separate remote servers (or batch queues) these core limits are specified in different config files (under ./servers or ./queues) for each server/queue. In other words, you may need to edit this in a different place.
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jwk
- Posts: 87
- Joined: Sat Jun 20, 2020 3:37 am
- Full Name: John Keller
- Organization: University of Alaska Fairbanks
- Subdiscipline: Chemistry
Re: Openmopac using only 1 proc
Thanks, J.R.
So then to force openmopac to use more cores or threads on a given job one should manually add a "threads=n" parameter in the input file?
So then to force openmopac to use more cores or threads on a given job one should manually add a "threads=n" parameter in the input file?