Some months ago I reported a severe memory leak in lapw1_mpi with Intel impi. The leak is present for certain in all 2019 versions, but goes away if one regresses the version (I use 2015). I know of one other Wien2k user who has found it, and I recently found it on an AMD test node.
I reported it to Intel on 11/26/2018 and it is request 03837257. Beyond a software engineer at Intel verifying it and indicating that it is probably in impi (which I already knew) it is going nowhere. Perhaps some of you can cross-report it, maybe this will help. I strongly suspect that the bug is linked to PDSYGST in seclr4.F. Based upon my tests this is (with elpa) the road block, as it does not scale with the number of cores used (i.e. time taken is essentially independent of cores) for larger problems (e.g. 50K matrix size) -- Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent Co-Editor, Acta Cryst A
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