[Wien] Parallel execution of hybrid functional calculation
西村 真一
nishimura at chemsys.t.u-tokyo.ac.jp
Sun Sep 1 09:39:15 CEST 2013
Dear WIEN2k users,
I am trying to perform the hybrid functionals calculation with
-hf of option like:
$ runsp -hf -p.
The version of WIEN2k is 13.1.
With the -hf execution lapw1 and lapw2 with the FBZ-klist do not run in parallel mode,
while the normal runsp runs in parallel mode (MPI/k-point),
I checked the runsp script, and found that
the lines for the calculations with FBZ-klist do not have the $para variable.
We can not run the FBZ calculations with any parallel options?
Thanks in advance,
Shinichi Nishimura
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