Hello,
My WIEN2k 14 serial jobs run fine but my MPI jobs always crash in the first
SCF cycle. I get the following message in the log file:
LAPW0 END
PuO2_bulk.scf1up_1: No such file or directory.
grep: *scf1up*: No such file or directory
PuO2_bulk.scf1dn_1: No such file or directory.
grep:
There is not much information in your mail about an error message. It
seems clear that it fails in the lapw1 step (but even this could be a
follow-up of a problem in lapw0).
Very often the problem lies in the definition of the "blacs"-library.
You have:
-lmkl_blacs_lp64
but this must be
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