Performance Assessment of Multi-node Parallel Computing System from First-principles
Abstract
A parallel computing environment of an
interconnected set of computers called MPI Cluster is set up on a Linux
Operating System to reduce runtime of Density Functional Theory DFT
calculations by combining the computational power of multiple computers. In
this paper, we evaluate the performance of Quantum ESPRESSO (QE) on the MPI
Cluster system. To test the speed and scalability of our cluster system,
distinct-point sample work loads are being distributed over multiple MPI
processors. The result implies that scaling speedup over many processors is
only possible if the number of k-points to parallelize is bigger than the
number of processors. We also discovered that the speedup limit for
parallelizing band calculations is somewhat independent of the number of bands
employed and that it reduces linearly as the number of MPI processors
increases.
Country : Nigeria
1 Mohammed B2 Wante H.P3 Hayatu A
Department of Science Laboratory Technology, Federal Polytechnic, Mubi, Adamawa State, Nigeria
Department of Science Laboratory Technology, Federal Polytechnic, Mubi, Adamawa State, Nigeria
Department of Applied Physics, Federal Polytechnic, Mubi, Adamawa State, Nigeria
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