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Lammps: WSL-Ubuntu22.04, Apptainer, GPU\nLammps を手軽に使いたいので、コンテナ化\n* WSL-Ubuntu22.04\n* Intel Core i5-10400F (Comet Lake 6 cores, 12 threads)\n* NVIDIA GeForce RTX 3060 (Ampere 3584 cores, VRAM 12GB)\n\n## 環境構築\n* [Ubuntu-22.04 on WSL 環境構築](guide/wsl-ubuntu.md)\n* Apptainer + Nvidia Container Toolkit\n\n|項目|値|\n|---|---|\n|Host Name|host|\n|User Name|toko|\n\n### Apptainer + Nvidia Container Toolkit\nhttps://apptainer.org/docs/admin/main/installation.html\n#### nvidia-container-toolkit インストール\nhttps://apptainer.org/docs/user/main/gpu.html\u003cbr\u003e\nhttps://docs.nvidia.com/datacenter/cloud-native/container-toolkit/latest/install-guide.html\n~~~sh\ntoko@host:~$ curl -fsSL https://nvidia.github.io/libnvidia-container/gpgkey | sudo gpg --dearmor -o /usr/share/keyrings/nvidia-container-toolkit-keyring.gpg \u0026\u0026 curl -s -L https://nvidia.github.io/libnvidia-container/stable/deb/nvidia-container-toolkit.list | sed 's#deb https://#deb [signed-by=/usr/share/keyrings/nvidia-container-toolkit-keyring.gpg] https://#g' | sudo tee /etc/apt/sources.list.d/nvidia-container-toolkit.list\ntoko@host:~$ sudo apt update\ntoko@host:~$ sudo apt install -y nvidia-container-toolkit\n~~~\n#### Apptainer インストール\n~~~sh\ntoko@host:~$ sudo add-apt-repository -y ppa:apptainer/ppa\ntoko@host:~$ sudo apt update\ntoko@host:~$ sudo apt install -y apptainer\n~~~\n##### 確認\n~~~sh\ntoko@host:~/sif$ apptainer pull docker://tensorflow/tensorflow:latest-gpu\ntoko@host:~/sif$ apptainer run --nv --nvccli tensorflow_latest-gpu.sif\nApptainer\u003e python\n\u003e\u003e\u003e from tensorflow.python.client import device_lib\n\u003e\u003e\u003e print(device_lib.list_local_devices())\n# なにかしらの GPU の情報が表示されれば OK らしい？ \n\u003e\u003e\u003e exit()\nApptainer\u003e exit\n~~~\n## Lammps\n### lammps-gpu.sif ファイル作成\n~~~sh\ntoko@host:~/sif $ sudo apptainer build lammps-gpu.sif lammps-gpu.def\n~~~\ndef ファイル記述のガイド:\nhttps://apptainer.org/docs/user/main/definition_files.html\n### 実行\n~~~sh\ntoko@host:~/data/build_test $ apptainer exec --nv ~/sif/lammps-gpu.sif bash run.sh \n~~~\n---\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Ftomosatop%2Fapptainer-lammps","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Ftomosatop%2Fapptainer-lammps","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Ftomosatop%2Fapptainer-lammps/lists"}