Dear Wien2k users, I am still waiting for an answer from Prof P.Blaha or Wien2k users.
2017-02-20 1:28 GMT+01:00 Wien2k User <[email protected]>: > 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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