Hi
dear WIEN2k users
I want to run wien2k
in the parallel mode (i.e. run_lapw -p -cc 0.0001) on only one computer which
has 8 CPUs, i.e. all 8 CPUs be used.
I have read
user-guide (section 5.5.3), but it was not explained “Parallelization” on only
one computer.
The default setting
of “.machines” file for my system is as follows:
1:localhost
1:localhost
granularity:1
extrafine:1
As I have understood
from user-guide, I should edit this file as follows (I have 74 k-points):
-------------------------------------------------------------------------------------
granularity:1
9:localhost
9:localhost
9:localhost
9:localhost
9:localhost
9:localhost
9:localhost
9:localhost
residue: localhost:2
lapw0: localhost:8
dstart: localhost:8
# 9kpoints * 8cups =72
kpoints from 74 kpoints, so 2 additional k-points were assigned to
“residue:localhost:2”
OR as:
granularity:1
74:localhost:8
lapw0: localhost:8
dstart: localhost:8
Are such “.machine”
files true?
Could you please help
me with this problem?
Thank you
J.Parker
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