Abstract:

[Background] High performance computing environment middleware SCE is deployed in multiple servers, and scientific computing software needs to be installed in multiple heterogeneous clusters. Therefore, the problem of software adaptation to the basic compiling environment needs to be solved. [Objective] The purpose of the work is to solve the installation problem of SCE and scientific computing software at heterogeneous servers in high performance computing environment, and simplify the software deployment process.[Methods] For the purpose of this work, we build SCE container and application software containers with Docker and Singularity technology and test the containers in several nodes of the high performance computing environment. [Results] The SCE container can run stably in the environment. The scientific computing software containers have roughly equivalent on-host performance with a deviation less than 2.63% for the execution time of LAMMPS. [Conclusions] We build containers of SCE and scientific computing software, optimize the deployment of software, and increase the efficiency of operation and maintenance.

Key words: high performance computing environment, container technology, docker, singularity