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
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