[Wien] Problem with testpara

Wien2k User wien2k.user at gmail.com
Mon Feb 20 01:28:42 CET 2017


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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