[Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL

[Laurence Marks]

I can look -- but Peter is in charge of the code.

On Wed, May 9, 2018 at 2:30 PM, Pavel Ondračka <pavel.ondracka at email.cz>
wrote:

> ---------- Původní e-mail ----------
> Od: Laurence Marks <L-marks at northwestern.edu>
> Komu: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> Datum: 9. 5. 2018 21:18:20
> Předmět: Re: [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
>
> You are right, this is a bug (potentially severe). In my local version I
> replaced somm with a more standard integration as somm interpolates to the
> origin (which is not right).
>
>
> Thanks for looking into this, hopefully the fix is not too hard. BTW if I
> provide similar analysis also for the other occurrences of floating point
> exceptions and/or valgrind uninitialized read/write errors, would you be
> willing to check whether those are harmless or real problems as well?
>
>
> Best regards
>
> Pavel
>
>


-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
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