[Wien] Problem with testpara

[Laurence Marks]

Edit the .machines file to whatever you want, e.g.
8:machine-1
3:machine-2
3:machine-3

Repeated as appropriate.

---
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.numis.northwestern.edu
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Co-Editor, Acta Cryst A


On Feb 19, 2017 18:28, "Wien2k User" <wien2k.user at gmail.com> wrote:

Dear Prof P.Blaha,

I launched a calculation with 126 k-point under a cluster but when I run
the testpara_lapw with wien2k_16 and wien2k_14 with the same machine file
below, the first version attribute 6 k-point for each thread of machine-1
and 5 k-point for machine-2 and machine-3 but version 14 assigns 8 k-point
for machine-1  and 3 k-point for machine-2 and machine-3. The two versions
do not give the same thing and I prefer the distribution of version 14. how
to apply this distribution with version 16?


.machines:

2 :machine-1

2 :machine-1

2 :machine-1

2 :machine-1

2 :machine-1

2 :machine-1

2 :machine-1

2 :machine-1

2 :machine-1

2 :machine-1

1 :machine-2

1 :machine-2

1 :machine-2

1 :machine-2

1 :machine-3

1 :machine-3

1 :machine-3

1 :machine-3

1 :machine-3

1 :machine-3

1 :machine-3

1 :machine-3
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