Jina Lee jinalee314
jinalee314
/ install_plumed2.8_lammps.sh
Last active
January 13, 2026 00:48
Install DeePMD-kit, PLUMED (v2.8.2), and LAMMPS (stable_2Aug2023_update3)
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| ## Works for Della cluster at Princeton University as of 6/27/2024 | |
| ssh della-vis1 # use for installation | |
| cd /directory-to-download-your-source-code-to/ | |
| ## DeePMD-kit installation | |
| git clone https://github.com/deepmodeling/deepmd-kit.git deepmd-kit-new # can choose folder name | |
| cd deepmd-kit-new |
pyhope
/ install_dpv2.1.4_plumed.sh
Last active
August 11, 2023 03:07
— forked from Yi-FanLi/install_dpv2.1.4_plumed
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| ## Works as tested on Princeton Della Cluster on April 16, 2023. | |
| module load anaconda3/2021.5 | |
| conda create -n dpdev python=3.10 # Customize a name (e.g. dpdev, deepmd, ...) for this conda environment | |
| conda activate dpdev | |
| export CONDA_OVERRIDE_CUDA=11.6 | |
| # install libtensorflow_cc gpu version (Note that only libtensorflow_cc in the deepmodeling channel enables GPU. The libtensorflow_cc library in the conda-forge channel can only be used on GPU.) | |
| conda install -c deepmodeling libtensorflow_cc=*=cuda11* |