quantumespresso:respack
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| Both sides previous revision Previous revision | Next revision Both sides next revision | ||
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quantumespresso:respack [2020/08/12 21:06] koudai [分極関数の計算] |
quantumespresso:respack [2020/08/12 21:08] koudai [相互作用の計算] |
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| * 直接相互作用< | * 直接相互作用< | ||
| + | $ export OMP_NUM_THREADS=12 | ||
| + | $ export MKL_NUM_THREADS=12 | ||
| $ calc_w3d < respack.in > LOG.w3d | $ calc_w3d < respack.in > LOG.w3d | ||
| </ | </ | ||
| * 交換相互作用< | * 交換相互作用< | ||
| + | $ export OMP_NUM_THREADS=12 | ||
| + | $ export MKL_NUM_THREADS=12 | ||
| $ calc_j3d < respack.in > LOG.j3d | $ calc_j3d < respack.in > LOG.j3d | ||
| </ | </ | ||
quantumespresso/respack.txt · Last modified: 2024/02/03 18:42 by koudai
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