[DFTB-Plus-User] Test doesn't work well.

ToshikiMima toshiki.mima at aist.go.jp
Thu Jan 21 01:37:40 CET 2010


Dear DFTB-Plus users and developers, 


I am a new DFTB user. I customized a Makefile to use MKL-Library, make command seemed
to work well and the EXE-file "dftb+" was produced.  

I tried "make test", however, several simulations output "Mismatch",
"Incomplete" and "Not run". According to "tagdiff.log" file, the
calculation for atomic eigenvalues failed in all "Mismatch" and
"Incomplete" simulations. I don't guess the cause of "Not run". 

I attached both "tagdiff.log" and "stderror.log" and the output file of
the test, "op_test.txt". Could you give me any comments or advices?


Best Regards


Toshiki Mima

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