I can look -- but Peter is in charge of the code. On Wed, May 9, 2018 at 2:30 PM, Pavel Ondračka <[email protected]> wrote:
> ---------- Původní e-mail ---------- > Od: Laurence Marks <[email protected]> > Komu: A Mailing list for WIEN2k users <[email protected]> > 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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