[Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL

[Laurence Marks]

This appears to be due to a silly approach in gfortran, and almost
certainly is not an error/problem and can be ignored -- see
https://stackoverflow.com/questions/44308577/ieee-underflow-flag-ieee-denormal-in-fortran-77
.

_____
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

On Wed, May 9, 2018, 6:35 AM Ramsewak Kashyap <kashyaprs89 at gmail.com> wrote:

> Sir,
> I am trying one most common example TiC in newly installed wien2k code. and getting following error:
>
>
> next is setrmt
>  next is nn
> STOP NN ENDS
>  specify nn-bondlength factor: (usually=2) [and optionally dlimit, dstmax (about 1.d-5, 20)]
>  DSTMAX:   20.000000000000000
>  iix,iiy,iiz           5           5           5   40.893689999999992        40.893689999999992        40.893689999999992
>
>     ATOM  1  Ti         ATOM  2  C
>  RMT(  1)=2.12000 AND RMT(  2)=1.74000
>  SUMS TO 3.86000  LT.  NN-DIST= 4.08937
>
>     ATOM  2  C          ATOM  1  Ti
>  RMT(  2)=1.74000 AND RMT(  1)=2.12000
>  SUMS TO 3.86000  LT.  NN-DIST= 4.08937
> 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
>  next is sgroup
> >   sgroup	(16:23:21) 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
>   Names of point group: m-3m   4/m -3 2/m   Oh
>   Names of point group: m-3m   4/m -3 2/m   Oh
> Number and name of space group: 225 (F m -3 m)
>  next is symmery
> >   symmetry	(16:23:21) Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
> 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
>  next is lstart
>  2 Atoms found: Ti C
> generate atomic configuration for atom 1 : Ti
> generate atomic configuration for atom 2 : C
>   SELECT XCPOT:
>   recommended: PBE    [(13) GGA of Perdew-Burke-Ernzerhof 96]
>                LDA    [( 5)]
>                WC     [(11)  GGA of Wu-Cohen 2006]
>                PBESOL [(19) GGA of Perdew etal. 2008]
>   SELECT ENERGY to separate core and valence states:
>   recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)
>   ALTERNATIVELY: specify charge localization (between 0.97 and 1.0) to select core state
> Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
> STOP LSTART ENDS
> >   inputfiles prepared	(16:23:21)
>  inputfiles prepared
>  next is kgen
> STOP KGEN ENDS
>   NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G)
>  length of reciprocal lattice vectors:   1.331   1.331   1.331  10.000  10.000  10.000
>           47  k-points generated, ndiv=          10          10          10
>  next is dstart
> >   dstart  -p	(16:23:21) running dstart in single mode
>
>
>
> --
> Ram
> ​ Kashyap
> Saha Institute of Nuclear Physics
> 9473811023
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180509/e47f1363/attachment.html>