et: Montag, 14. August 2017 15:46
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Problem with dstart in new version 17.1
You probably have to drop/change the optimization level and/or use -ftz
(perhaps -noftz). I have seen related issues in mixer when small numbers are
added leading to N
You probably have to drop/change the optimization level and/or use -ftz
(perhaps -noftz). I have seen related issues in mixer when small numbers
are added leading to NaN's being output. I blame this on Intel, although I
may be wrong.
On Mon, Aug 14, 2017 at 7:49 AM, Fecher, Gerhard
I experienced a problem with dstart of version 17.1,
an error appears as given below when running a calculation for the attached
structure (initialisation with defaults).
A closer look, however, shows that this error does not result from lapw2 but
from dstart.
(I found NANs in some files used
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