[QE-users] meaning "Note: The following floating-point exceptions are signalling"

Subrata Jana subrata.jana at niser.ac.in
Wed Apr 18 08:27:32 CEST 2018


Hi,

It is not an error message.

http://qe-forge.org/pipermail/pw_forum/2015-November/108481.html

Regards,
Subrata Jana



*--------------------------------------------------------------------------------------------------------------*
*SUBRATA JANA*
*Research Scholar*

*School of Physical SciencesNational Institute of Science Education and
Research (NISER), **Bhubaneswar*
*PO- Bhimpur-Padanpur, Via- Jatni, District:- Khurda*

*PIN – 752050, Odisha, INDIA*

On Wed, Apr 18, 2018 at 11:52 AM, tahsin özer <tahsinozer at hotmail.com>
wrote:

>
> Dear Quantum Espresso Users,
>
>
> Why does the message
>
>
> "Note: The following floating-point exceptions are signalling:
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL"
>
>
> appear at the end of calculations made with quantum espresso? and What
> does this message mean?
>
> Thanking you,
> Yours sincerely,
> Tahsin
>
>
> ****************input file******************************************
> &CONTROL
>     calculation = 'scf',
>     prefix = 'SbSeI',
>     pseudo_dir='./',
>     tstress=.true.,
>  /
> &SYSTEM
>     ibrav     = 8,
>     celldm(1) = 16.34613749,
>     celldm(2) = 1.2,
>     celldm(3) = 0.47630058,
>     nat       = 12,
>     ntyp      = 3,
>     ecutwfc   = 60,
>     ecutrho   = 180,
>  /
> &ELECTRONS
>     mixing_beta = 0.7,
>  /
>
> ATOMIC_SPECIES
>  Sb 121.76     Sb.pbe-hgh.UPF
>  Se 78.96      Se.pbe-hgh.UPF
>  I  126.90447  I.pbe-hgh.UPF
>
> ATOMIC_POSITIONS (crystal)
> Sb 0.1180000  0.1300000  0.2500000
> Sb 0.3820000  0.6300000  0.7500000
> Sb 0.8820000  0.8700000  0.7500000
> Sb 0.6180000  0.3700000  0.2500000
> Se 0.8350000  0.0600000  0.2500000
> Se 0.6650000  0.5600000  0.7500000
> Se 0.1650000  0.9400000  0.7500000
> Se 0.3350000  0.4400000  0.2500000
> I  0.5150000  0.8250000  0.2500000
> I  0.9850000  0.3250000  0.7500000
> I  0.4850000  0.1750000  0.7500000
> I  0.0150000  0.6750000  0.2500000
> K_POINTS (automatic)
>   4 4 10 1 1 1
>
>
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>
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