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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