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
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