{"id":16,"date":"2018-09-24T18:48:56","date_gmt":"2018-09-24T18:48:56","guid":{"rendered":"http:\/\/mscskeylab.hus.vnu.edu.vn\/?page_id=16"},"modified":"2024-02-12T03:03:24","modified_gmt":"2024-02-12T03:03:24","slug":"equipments","status":"publish","type":"page","link":"https:\/\/mscskeylab.hus.vnu.edu.vn\/index.php\/equipments\/","title":{"rendered":"Equipments"},"content":{"rendered":"<p>The KeyLAB employs a computing cluster hosted at the VNU University of Science:<\/p>\n<p><strong>Hardware characteristics<\/strong><\/p>\n<ul>\n<li>36 compute nodes (1296 CPU cores in total), each node equipped with:\n<ul>\n<li>02 Intel\u00ae Xeon\u00ae E5-2697 v4 Broadwell-EP processors\n<ul>\n<li>2 x 18 cores<\/li>\n<li>2.30 GHz<\/li>\n<li>AVX 2.0 ISA extension<\/li>\n<li>45 MiB Cache<\/li>\n<\/ul>\n<\/li>\n<li>04 compute nodes equipped with one NVIDIA K80 GPUs (two visible devices per node)\n<ul>\n<li>4992 CUDA cores<\/li>\n<li>24 GiB GDDR5 memory<\/li>\n<\/ul>\n<\/li>\n<li>64 (16&#215;4) GiB DDR4 SDRAM memory (2400 MHz)<\/li>\n<li>512 GiB Solid State Disk<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<ul>\n<li>Mellanox FDR (56 GB\/s) InfiniBand internode communication with non-blocking fat tree topology (Connect-IB card)<\/li>\n<li>One storage node with 40 TB.<\/li>\n<\/ul>\n<p><strong>Software characteristics:<\/strong><\/p>\n<ul>\n<li>CentOS 7.9 operating system<\/li>\n<li>PBS Pro (Resource manager)\/MAUI (Job scheduler) batch system<\/li>\n<li>Intel OneAPI 2021.4 with Fortran, C\/C++ compiler, Intel Python 3.7<\/li>\n<li>Intel Math Kernel Library<\/li>\n<li>Intel MPI (Message Passing Interface) Implementation<\/li>\n<li>Schr\u00f6dinger Small Molecule Drug Design software.<\/li>\n<li>Gaussian 16 quantum chemistry software.<\/li>\n<li>Many open-source scientific computing software and libraries: GROMACS, Quantum Espresso, CP2K, FreeFem++, TensorFlow, CUDA, &#8230;.<\/li>\n<li>GNU gcc 9.3.1, gcc 11.2.1, python 3.8 through CentOS Software Collections.<\/li>\n<\/ul>\n<p><strong>Equipment from additional research projects and grants:<\/strong><\/p>\n<ul>\n<li>One dedicated rack-mount web server for the domain name mscskeylab.hus.vnu.edu.vn.<\/li>\n<li>VASP (licensed to Dr. Nguyen Thuy Trang) software.<\/li>\n<li>Two-dimensional electrophoresis equipment.<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>The KeyLAB employs a computing cluster hosted at the VNU University of Science: Hardware characteristics 36 compute nodes (1296 CPU cores in total), each node equipped with: 02 Intel\u00ae Xeon\u00ae E5-2697 v4 Broadwell-EP processors 2 x 18 cores 2.30 GHz AVX 2.0 ISA extension 45 MiB Cache 04 compute nodes equipped with one NVIDIA K80 &hellip;<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-16","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/mscskeylab.hus.vnu.edu.vn\/index.php\/wp-json\/wp\/v2\/pages\/16","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/mscskeylab.hus.vnu.edu.vn\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/mscskeylab.hus.vnu.edu.vn\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/mscskeylab.hus.vnu.edu.vn\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/mscskeylab.hus.vnu.edu.vn\/index.php\/wp-json\/wp\/v2\/comments?post=16"}],"version-history":[{"count":15,"href":"https:\/\/mscskeylab.hus.vnu.edu.vn\/index.php\/wp-json\/wp\/v2\/pages\/16\/revisions"}],"predecessor-version":[{"id":703,"href":"https:\/\/mscskeylab.hus.vnu.edu.vn\/index.php\/wp-json\/wp\/v2\/pages\/16\/revisions\/703"}],"wp:attachment":[{"href":"https:\/\/mscskeylab.hus.vnu.edu.vn\/index.php\/wp-json\/wp\/v2\/media?parent=16"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}