Hi, I have upgraded to 23.1 and encountered an error running qtl
running LAPW2 in parallel mode STOP LAPW2 - FERMI; weights written FERMI only 0.229u 0.063s 0:00.13 215.3% 0+0k 0+1312io 0pf+0w running QTL in parallel mode calculating QTL's from parallel vectors so: Undefined variable. 0.015u 0.005s 0:00.01 100.0% 0+0k 0+24io 0pf+0w error: command /home/mcem-admin/wien2k/qtlpara qtl.def failed The SCF ran to convergence (parallel, 6 cores on one Intel machine). The error somewhat resembles those previously present in x_lapw fixed with the Github patches. “so” is defined in x_lapw (set so). Happy to provide more details but is anyone aware of any need for a patch in 23.1? Many thanks, Tim. --- Dr. Tim Williams Transmission Electron Microscope Manager Monash Centre for Electron Microscopy (MCEM) Monash University Room 103, 10 Innovation Walk, Clayton Campus Wellington Road Clayton VIC 3800 Australia T: +61 (0) 3 9902 0721 M: +61 (0) 401 853 850 e: [email protected] CRICOS Provider: Monash University 00008C/01857J We acknowledge and pay respects to the Elders and Traditional Owners of the land on which our four Australian campuses stand.
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