Dear Dario Rocca
Thank very much for to early response, I did not know of this change from 5.0
to 5.1 version. I
think in the case of an abnormal interruption must be restarted from the last
geometry, if the
run is relax or vc-relax.
My greetings
Yenner
Student of PhD
Central University of Ven
On Thu, Aug 13, 2015 at 2:01 PM, Samuel Poncé wrote:
> Dear Axel,
>
> Intel 13 stands for the version of the intel compiler I've tested. It is
i understood that.
you asked for what the reason was, and for me the logical conclusion
from your data would be that the intel 13 compiler was the problem
Dear Axel,
Intel 13 stands for the version of the intel compiler I've tested. It is
actually intel 13.5.192 to be more accurate.
Best,
Samuel
On 13 August 2015 at 14:13, Axel Kohlmeyer wrote:
> On Thu, Aug 13, 2015 at 9:08 AM, Samuel Poncé
> wrote:
> > Dear all,
> >
> > I've noticed that the
Hi,
I try to compute phonon dispersion and DOS. ph.x seems to work fine.
When I continue with the q2r routine with the following input:
&input
fildyn='BaFe2As2_20K.dyn',
zasr='simple',
flfrc ='BaFe2As2_20K101010.fc'
/
q2r < q2r.in > q2r.out
I receive the following q2r.out-file:
On Thu, Aug 13, 2015 at 9:08 AM, Samuel Poncé wrote:
> Dear all,
>
> I've noticed that the latest trunk version of QE (r11674) does not compile
> on intel 13
>
> The problematic routine is in PW/src
> mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__INTEL -D__FFTW3
> -D__MPI -D__PARA -
Dear Colleagues!
If you, by chance, happen to know a person who is interested in the
post-docroal position with the emphasis on developing electronic structure
codes, this may be a good opportunity for him/her:
https://pub.refline.ch/845721/4086/++publications++/1/index.html
Group of Prof. Thoma
Dear all,
I've noticed that the latest trunk version of QE (r11674) does not compile
on intel 13
The problematic routine is in PW/src
mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__INTEL
-D__FFTW3 -D__MPI -D__PARA -D__SCALAPACK
-I/home/farmer/local/fftw3_intel13/include -I../../iot
