Hi, all: I met some confusions when I try to compare the efficiency of MPI and multi-thread calculations. In the lapw1 stage of the same case, I found that MPI will take double time of that with multi-thread. Other than, it even takes longer time than k-point parallelization without multi-thread setup. Can anyone tell me under what case MPI has a better performance? Another question is about the number of thread per job. When I increase the OMP_NUM_THREADS from 2 to 4, my process usually crashes after two cycles although it does have a boost effect on the finished cycle. Is this a normal thing? Do we have an optimal threads number?
Best, Wenhao _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://firstname.lastname@example.org/index.html