You can also try a newer version with python 3 compatibility from
https://github.com/spichardo/BerryPI/tree/master/utils
It has some changes in the line with error.
Good luck
Oleg
--
Oleg Rubel (PhD, PEng)
Department of Materials Science and Engineering
McMaster University
JHE
If your using WIEN2k_19.2, then only follow [3] (do not follow [1]).
Maybe you are not using your WIEN2k_19.2 installation directory but are
still using your older WIEN2k version installation directory.
For example, in an older WIEN2k version, you might see write_inwf_lapw
is version 1.0.0
Memory should be fine since I have chosen an idle node to do the tests and
I have tested a few omp_global values, it still performed badly. So, it
should be a file/network issue as Prof. Blaha suggested since I
have indeed set the SCRATCH directory as ./. Anyway, thank you for your
suggestions.
While the server is probably the issue, two other things to check:
a) lapw2 can need more memory, so swapping issues are not impossible.
b) How have you set omp_lapw2 ?
_
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought",
Dear Users,
I am using WIEN2k_19.2.
I am coming across the following error while running ''write_inwf"
File "/./wien2k/write_inwf", line 58
return np.array([float (s) for s in l[12:22], l[25:35], l[38:48]])
^
SyntaxError: invalid syntax
Thank you for your quick response. I believe that is the key to the
problem. So with larger vector files, the lapw2 will run slower in my
situation. That makes sense.
Peter Blaha 于2020年12月28日周一 下午4:38写道：
> This points to a fileserver/network problem on your cluster.
>
> On a big cluster one
This points to a fileserver/network problem on your cluster.
On a big cluster one usually has a home-directory on a fileserver drive,
which is mounted over a network (eg. NFS, HPFS,..) on all nodes. While
this is very convenient, it is on many systems also a huge bottleneck.
Either the
Dear wien2k users,
I am trying to run wien2k on clusters, but I encountered a very strange
issue that the performance of lapw2 is very inefficient. For example,
8 matches
Mail list logo
