如何执行SIngularity容器的MPI代码

最新推荐文章于 2025-05-01 20:25:39 发布

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本文介绍如何在Singularity容器中执行MPI（Message Passing Interface）代码，涉及mpiexec命令的使用、ORTED进程的介入、容器环境的构建与应用实例化。重点在于展示MPI在Singularity容器中的协作流程和关键步骤。

MPI(Message Passing Interface) 主流的两个开源软件分别是OpenMPI和MPICH (Singularity同时支持)。

基本想法：要执行SIngularity容器的MPI代码时，使用mpiexec类似命令去调用singularity命令。容器外部的MPI进程会和容器内的MPI进行协作，容器内的MPI代码会实例化任务。

流程如下：

The MPI launcher (e.g., mpirun, mpiexec) is called by the user directly from a shell etc. .
The MPI then calls the process management daemon (ORTED); the ORTED process launches the Singularity container requested by the MPI launcher command, as such mpirun.
Singularity builds the container and namespace environment; singularity then launches the MPI application within the container.
The MPI application loads the MPI libraries.
The MPI libraries connect back to the ORTED process via the Process Management Interface (PMI).