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+# gromacs_docker
+
+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)
+
+运行命令：
+
+```shell
+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
+```
+
+首次使用报错：
+
+```shell
+docker: Error response from daemon: could not select device driver “” with capabilities: [[gpu]].
+```
+
+解决办法：
+
+```shell
+sudo curl -s -L https://nvidia.github.io/nvidia-container-runtime/gpgkey | \
+  sudo apt-key add -
+distribution=$(. /etc/os-release;echo $ID$VERSION_ID)
+sudo curl -s -L https://nvidia.github.io/nvidia-container-runtime/$distribution/nvidia-container-runtime.list | \
+  sudo tee /etc/apt/sources.list.d/nvidia-container-runtime.list
+sudo apt-get update
+
+sudo apt-get install nvidia-container-runtime
+```
+
+02 验证执行下列命令：
+
+```shell
+which nvidia-container-runtime
+```
+
+输出 /usr/bin/nvidia-container-runtime，表示安装成功。
+03 docker 使用:
+
+```shell
+docker run -it --gpus all **
+```
+
+此时，设置使用设备上全部的显卡。
+
+目前尚不支持debian12