CONTROL OF COMPUTATIONAL TASKS OF A HPC CLUSTER WHEN SOLVING PROBLEMS OF MATERIALS SCIENCE

The paper considers approaches to the organization of the computational process in a HPC cluster, taking into account a wide range of computational loads in the problems of computational materials science. For a number of tasks for which the interactive mode of operation in the computing environment of a high-performance cluster is in demand, an approach is proposed to the dynamic distribution of computing resources between job queues serving the flows of interactive and batch computational tasks, which makes it possible to increase the efficiency of loading resources of a HPC cluster with the combined use of interactive and batch approaches to computing..