[molpro-user] Short questions on 'make tuning' and 'make tests'
Manhui Wang
wangm9 at cardiff.ac.uk
Thu Mar 31 10:13:55 BST 2011
Dear Evgeniy,
Evgeniy Gromov wrote:
> Dear Molpro Community,
>
> I am just wondering about the tuning settings:
> Should 'make tuning' be done on 1 CPU? In my
> case when I started it it took all available
> CPU-cores (8 in my case), although I didn't
> set up the number of CPUs. Is it OK?
It is fine if you usually run Molpro using multiple processes.
>
> Also, I am wondering where the results (protocols)
> of the test run are written to? How one can get
> to know if the tests ran OK?
All the outputs(named *.out) are in directory testjobs. If all testjobs
pass, there are no *.errout in directory testjobs and error messages.
>
> Thanks!
>
> Best,
> Evgeniy
>
Best wishes,
Manhui
--
-----------
Manhui Wang
School of Chemistry, Cardiff University,
Main Building, Park Place,
Cardiff CF10 3AT, UK
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