[DFTB-Plus-User] test of installation
aradi at uni-bremen.de
Mon Jan 7 11:12:54 CET 2019
> I've got the information about autotest
> in http://www.dftbplus.org/fileadmin/DFTB-Plus/public/howtos/compiling/compiling.pdf.
I see. That's an outdated document (which is not linked from anywhere at
our websites, I hope). I have removed that document now.
> I preferred to download the complied exercutable file rather than
> compiling it.
The executable available for download has been already tested. As it is
a statically linked executable without dependencies, it should work fine
on any systems it can be run at.
> INSTALL.rst indicates that I shoud use "make test" for the test of the
> complied file. However, it seems that this method is for the
> compilication method, not for my case.
> If there is a method to test the complied executable file, would you let
> me know?
Yes, indeed, the INSTALL.rst describes the testing of the executable if
you compile the code yourself.
If you want to test a precompiled binary, you can try to execute
./bin/autotest2 -w ~/some/temporary/folder -p
/path/to/your/executable/dftb+ -f tests -s A -v
in the test/prog/dftb+ folder of the source. This would run the tests.
Some of them will fail, though, as the tests file is usually
preprocessed first using the compile time settings.
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
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