International Research Journal of Innovations in Engineering and Technology - IRJIET International Open Access, Monthly, Peer Reviewed, Reputed Journal ISSN (online): 2581-3048

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DOI Prefix: 10.47001/IRJIET

Performance Assessment of Multi-node Parallel Computing System from First-principles

Mohammed BDepartment of Science Laboratory Technology, Federal Polytechnic, Mubi, Adamawa State, NigeriaWante H.PDepartment of Science Laboratory Technology, Federal Polytechnic, Mubi, Adamawa State, NigeriaHayatu ADepartment of Applied Physics, Federal Polytechnic, Mubi, Adamawa State, Nigeria

Vol 5 No 8 (2021): Volume 5, Issue 8, August 2021 | Pages: 82-87

International Research Journal of Innovations in Engineering and Technology

OPEN ACCESS | Research Article | Published Date: 04-09-2021

doi Logo doi.org/10.47001/IRJIET/2021.508014

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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.
Keywords

Density Functional Theory, MPI Cluster, MPI processors, parallel Computing, QE


Citation of this Article

Mohammed B, Wante H.P, Hayatu A, “Performance Assessment of Multi-node Parallel Computing System from First-principles” Published in International Research Journal of Innovations in Engineering and Technology - IRJIET, Volume 5, Issue 8, pp 82-87, August 2021. Article DOI https://doi.org/10.47001/IRJIET/2021.508014

Licence Copyright (c) 2026 International Research Journal of Innovations in Engineering and Technology creative common licence This work is licensed under Creative common Attribution Non Commercial 4.0 Internation Licence
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