If the number of bands is not prohibitively large you can try to run
with the option -nd 1, which disables the usage of scalapack. I also
noticed that compiling with elpa parallel diagonalization is more stable.
Is it possible to use the most recent versions of ELPA? I have lost so
much time trying to get this library to work around ~2016 that I have
never tried it again since.
cheers
--
Lorenzo Paulatto - Paris
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