The input parameters for DSTEIN2 can be found here http://www.netlib.org/scalapack/explore-html/dc/deb/dstein2_8f_source.html
Parameter 4 and 6 are M and IBLOCK respectively. The number of MPI processes probably is too large. On Thu, Aug 30, 2018 at 12:01 PM, Luis Ogando <[email protected]> wrote: > 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 > [email protected] > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > [email protected]/index.html > >
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