vasp
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| vasp [2020/02/14 19:16] – created root | vasp [2025/10/15 19:51] (current) – external edit 127.0.0.1 | ||
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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. | ||
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