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pwmlff 相关 案例下载

#%Module1.0
## modules modulefile
 
set    prefix      /data/app/Lammps_for_PWMLFF-0.1.0
 
module-whatis "Lammps_for_PWMLFF-0.1.0"
 
module load intel/2020
 
prepend-path PATH             $prefix/lammps_neigh_mlff_20230508/src

#%Module1.0
## modules modulefile
 
set    prefix      /data/app/Lammps_for_PWMLFF-2024.5
set    pwmlff_env  /data/app/conda3/envs/pwmlff2024.5
set    pwmlff      /data/app/PWMLFF2024.5
 
module-whatis "Lammps_for_PWMLFF-2024.5"
 
module load intel/2020
module load cuda/11.8
 
prepend-path PATH             $prefix/src
prepend-path LD_LIBRARY_PATH  $pwmlff_env/lib/python3.11/site-packages/torch/lib:$pwmlff_env/lib:$pwmlff/src/op/build/lib:$prefix/src