45 lines
1.2 KiB
Markdown
45 lines
1.2 KiB
Markdown
# gromacs_docker
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在容器中使用gpu需要安装：[nvidia-container-toolkit](https://docs.nvidia.com/datacenter/cloud-native/container-toolkit/latest/install-guide.html)
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运行命令：
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```shell
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docker run -it --net=host --gpus all --name 容器名 -e NVIDIA_DRIVER_CAPABILITIES=compute,utility -e NVIDIA_VISIBLE_DEVICES=all 镜像名
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```
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首次使用报错：
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```shell
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docker: Error response from daemon: could not select device driver “” with capabilities: [[gpu]].
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```
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解决办法：
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```shell
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sudo curl -s -L https://nvidia.github.io/nvidia-container-runtime/gpgkey | \
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sudo apt-key add -
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distribution=$(. /etc/os-release;echo $ID$VERSION_ID)
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sudo curl -s -L https://nvidia.github.io/nvidia-container-runtime/$distribution/nvidia-container-runtime.list | \
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sudo tee /etc/apt/sources.list.d/nvidia-container-runtime.list
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sudo apt-get update
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sudo apt-get install nvidia-container-runtime
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```
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02 验证执行下列命令：
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```shell
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which nvidia-container-runtime
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```
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输出 /usr/bin/nvidia-container-runtime，表示安装成功。
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03 docker 使用:
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```shell
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docker run -it --gpus all **
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```
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此时，设置使用设备上全部的显卡。
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目前尚不支持debian12 |