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module load intel/ | module load intel/ | ||
- | mpirun -np 16 -genv OMP_NUM_THREADS=2 / | + | mpirun -np 16 -genv OMP_NUM_THREADS=2 / |
- | took 75 seconds on Trestles, 35 seconds on Razor 16-core (with OMP_NUM_THREADS=1)**, | + | took 75 seconds on Trestles, 35 seconds on Razor 16-core (with OMP_NUM_THREADS=1)**, |
+ | vasp.o2.smkl took 26.1 seconds on Pinnacle. | ||
</ | </ | ||
**For performance MPI threads x OpenMP threads should not exceed physical cores. | **For performance MPI threads x OpenMP threads should not exceed physical cores. | ||
- | Parallel MKL and -O3 didn't help performance. | ||