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  • #246

Closed
Open
Opened Jan 28, 2019 by Daniel Wortmann@wortmannOwner

Summary of problems with SpinSpirals

This is a new issue hopefully summarizing the remaining problems with SpinSpirals. Hence we close #229 (closed) and

  1. done

  2. Film+SpinSpiral+MPI crashes after or in first iteration: Spin spiral for Fe-Pt film scf: unstable, cannot reproduce errors. I start form this inp.xml file: inp_film.xml. There are three possible outcomes which occur randomly:

  • calculation converges successfully

  • calculation fails with an error test-6643572.err. Output files: out2 out2.xml

  • calculation does not fail but does not produce any iterations. Hence, it does not converge and stops due to time limits. out3 out3.xml test-6643614.err

Edited Jan 29, 2019 by Daniel Wortmann
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Reference: fleur/fleur#246