Ups ! I forgot (because it is not documented !): put the keyword
balance: into your .machines file. It should then work as before. On 02/20/2017 01:28 AM, Wien2k User 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 _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
-- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at WWW: http://www.imc.tuwien.ac.at/TC_Blaha -------------------------------------------------------------------------- _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html