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陈浩南
2024-03-12 20:25:46 +08:00
parent 87646c470d
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devices/xmupc1/README.md
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@@ -214,7 +214,7 @@ VASP 有很多很多个版本，具体来说：
```bash
vasp-nvidia-6.4.0 mpirun -np 1 -x CUDA_DEVICE_ORDER=PCI_BUS_ID -x CUDA_VISIBLE_DEVICES=0 -x OMP_NUM_THREADS=4 vasp-std
vasp-gnu-6.4.0 mpirun -np 2 -x OMP_NUM_THREADS=4 vasp-std
vasp-intel-6.4.0 mpirun -n 2 -genv OMP_NUM_THREADS 4 vasp-std
vasp-intel-6.4.0 mpirun -n 2 -genv OMP_NUM_THREADS=4 vasp-std
```
其中 `CUDA_VISIBLE_DEVICES` 用于指定用哪几个显卡计算（多个显卡用逗号分隔）。