Dear Wien2k community,
I am calculating a large system (100 atoms) with only one K-point.
When I try the job with 288 MPI processes, it goes smoothly but exceeds
the allowed calculation time.
On the other hand, when I try the same calculation with 1152 MPI
processes, I get the following message during lapw1 execution:
Intel MKL ERROR: Parameter 6 was incorrect on entry to DSTEIN2.Intel MKL
ERROR: Parameter 4 was incorrect on entry to DSTEIN2.
Does anyone have any hint to solve this problem ?
All the best,
Luis
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
