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 kpoints 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.
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