Yes I think so. It was a while ago and I remember that it drove me
crazy. Pw.x would start normally but it would stop without crashing,
like waiting for input. I remember that I fixed it as I have
explained. By the way, it also happened to me that the problem would
show only if I exceeded
Let me understand: are you saying that there might be a problem with the
so-called "here document" syntax:
pw.x < EOF
long input here
EOF
if the long input is too long? funny
Paolo
On Thu, Aug 20, 2020 at 11:53 AM aritz leonardo liceranzu
wrote:
> Dear Fanhao
>
> I have encountered the same
Dear Fanhao
I have encountered the same problem and the solution is easy. It
doesn't have anything to do with QE.
Simply create an independent nscf input file that contains the big
list of kpoints. Do not create the nscf input file within the same job
submission script using EOF.
Then
But when I increase to 12*12*12=1728 k-points, the program does not
really run, there is no output or error.
I have increased the nkp in Module/parameter.f90 to 10,
You "fix" would not help, and will in fact make things worst. If you
exceed nkp the code will stop immediately with an
Hi
which version of the code are you using ? In the last version npk is
already set to 4.
an easy solution could be to split the calculation in 2 or 3 independent
calculations in which you compute a part of the k-points.
It might be a little be awkward to collect the results afterwards
Dear developers,
I am doing a nscf calculation of GaAs with so many k-points.
I can run the calculation if the number of k-points is 1000, and it is very
fast to finish.
But when I increase to 12*12*12=1728 k-points, the program does not really
run, there is no output or error.
I have
