quantumespresso:respack
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quantumespresso:respack [2020/08/11 16:11] koudai [RESPACK 20200113 + Ubuntu 18.04] |
quantumespresso:respack [2020/08/12 16:19] koudai [分極関数の計算] |
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| < | < | ||
| - | $ mpirun -n 12 calc_chiqw < respack.in > LOG.chiqw | + | $ mpirun -n 6 calc_chiqw < respack.in > LOG.chiqw |
| </ | </ | ||
| + | * MPI_num_qcommには、すべてのqで計算するときに、いくつの点を同時に並列計算を行うかを指定します | ||
| + | * MPI_num_proc_per_qcommには、qの各点の計算に使用するスレッド数を指定します | ||
| * MPIのプロセス数は MPI_num_proc_per_qcomm * MPI_num_qcomm に一致させます | * MPIのプロセス数は MPI_num_proc_per_qcomm * MPI_num_qcomm に一致させます | ||
| * この計算に一番時間がかかります | * この計算に一番時間がかかります | ||
quantumespresso/respack.txt · Last modified: 2024/02/03 18:42 by koudai
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