use
deepmd-kit
pip install . -i https://pypi.tuna.tsinghua.edu.cn/simple deepmd-kit==2.0.3
conda activate ....
conda deactivate
dp freeze
dp test -m graph.pb -s /root/workshop/deempmd-kit/data/ -d result
集群
liaobo
sbatch < test.sh
vim 文件名.out
squeue
scancel XXX
sinfo
a509
source ~/.bashrc
conda activate hyy_py36
nohup ./run.sh 1>result.log &
tail -f result.log
jobs -l
nvidia-smi
Ubuntu
source tensorflow_venv/bin/activate
source ~/intel/oneapi/setvars.sh intel64
result
liaobo
mgalcu
slurm - *****.out
(baseline: true/float64/float64)
42680 - baseline - 376.579s
42683 - wrong
42684 - 混合1+baseline - 379.563s
42685 - 混合1+true/float32/float32 - 329.579s
42686 - 混合1+false/float32/float32 - 514.048s
42687 - 混合1+true/float16/float16 - 402.219s
42688 - 混合1+false/float16/float16 - 589.722s
42689 - same as 42688 - 559.414s
42690 - 混合1+true/float32/float16 - 421.687s
42691 - 混合1+true/float16/float32 - 478.926s
42692 - 混合1+true/float64/float32 - 522.439s
42693 - 混合1+true/float32/float64 - 452.675s
42694 - 混合1+true/float64/float16 - wrong
42695 - 混合1+true/float16/float64 - wrong
42696 - 混合1+false/float16/float64 - wrong
Resource temporarily unavailable
42697 - same as 42694 - 380.009s
42698 - same as 42695 - 413.311s
42699 - same as 42696 - 578.449s