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call to ZHEGV failed

Posted: Sun Jun 15, 2008 2:25 pm
by linglin
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 344
When I do static calculation, it gave me this warning. (I set IALGO=Fast in my INCAR)I tried to set LREAL=Auto or the default ,the warning also exits. But I see the geometry optimization is quite reasonable. My question is would the warning affect the result? Or what can I do to avoid this kind of warning?

call to ZHEGV failed

Posted: Wed Jun 18, 2008 6:07 pm
by job
It can affect the result yes. So I wouldn't trust any results produced if these warnings are present. YMMV.

I used to get this warning when I was using acml.

Nowadays I use GOTO BLAS and the lapack that is included in vasp.4.lib, and I get no such warnings.