[Pw_forum] overlap matrix

[Kevin May]

​Hi,

I think I recall reading about an MKL bug that causes the overlap matrix to
not be written correctly. Are the non-working versions compiled with the
same math libraries as the working 5.4.0 version? I am not sure which MKL
versions are affected but I think anything > 2017 was working for me, and
an older 10.xx version was not. FYI I have had success writing the overlap
matrix with both espresso 6.0 and 6.1.

In my case I compiled two versions of QE, one with MKL and one without. I
used pw.x from the former and projwfc.x from the latter.

Hope this helps

Kevin May
PhD Candidate
Department of Mechanical Engineering, MIT
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