If you've compiled with scalapack...see if running projwfc.x with more than one mpi proc but with the flag -northo 1 gives you the overlap matrix.
If you haven't compiled with scalapack northo will always be set to 1. Andrew Supka Central Michigan University On Jan 20, 2018 8:33 PM, "Negar Ashari Astani" <[email protected]> wrote: Dear Kevin, Could be! I figured out that whenever I run with only one processor everything is fine. However, the parallel implementation does not write the overlap matrix. Also the output format is different. So I ended up running projwfc.x only on one processor! Maybe there is something wrong with the compilation and MKL libraries as you said! Many thanks, Negar -- Negar Ashari-Astani, PhD Sharif university of technology, Department of Physics Room 624 Tel: (+98)2166164504 <+98%2021%206616%204504> _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
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