opE<\/strong>n-S<\/strong>ourceP<\/strong> ackage for\u00a0R<\/strong>esearch in\u00a0E<\/strong>lectronic\u00a0S<\/strong>tructure,\u00a0S<\/strong>imulation, and\u00a0O<\/strong>ptimization<\/p>\n ESPRESSO\u00a0is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft).<\/p>\n The 6.1 version is availabe. \u00a0The home page of the code is in \u00a0DEMOCRITOS National Simulation Center of the Italian INFM<\/a>.<\/p>\n Quantum\u00a0ESPRESSO\u00a0builds onto newly-restructured electronic-structure codes (PWscf, PHONON, CP90, FPMD, Wannier) that have been developed and tested by some of the original authors of novel electronic-structure algorithms – from Car-Parrinello molecular dynamics to density-functional perturbation theory – and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency is still our main focus.<\/p>\n [intlink id=\u00bb4795″ type=\u00bbpost\u00bb] See how to send espresso \u00a0section.[\/intlink]<\/p>\n We show various benchmarks results for \u00a0ph.x and pw.xy in our \u00a0service\u00a0the machines.\u00a0The best\u00a0are the\u00a0Xeon\u00a0nodes\u00a0and scale\u00a0well up to 32\u00a0cores.\u00a0Notice that\u00a0the communication network\u00a0in the \u00a0Xeon nodes is better.<\/p>\nHow to use<\/h2>\n
Monitorization<\/h2>\n
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Benchmark<\/h2>\n