[DFTB-Plus-User] OpenMP compilation ?

Michal Husak Michal.Husak at vscht.cz
Fri May 20 16:24:08 CEST 2022


Hi

>In order to prevent unwanted disasters during testing (where people 
>tend to start several tests in parallel via the '-j' option), the 
>test environment is set up to use one thread only. However, this you 
>can tune via the -DTEST_OMP_THREADS option, if you whish, when 
>configuring the project. See the "Testing DFTB+" section in INSTALL.rst.

I had find the sequence in manual:

   set up the ``TEST_OMP_THREADS`` variable to ``2`` (in `config.cmake`), issue

The test output files already detects 4 threads after modification of 
the TEST_OMP_THREADS to 4:

OpenMP threads:              4

And dftb+.exe  occasionally indicate more than 25% CPU load (4 core 
machine) ...

So it looks like it works

Thanks ...

Michal 



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