{"id":45,"date":"2021-08-12T17:03:19","date_gmt":"2021-08-12T17:03:19","guid":{"rendered":"https:\/\/wordpress.cels.anl.gov\/molssi-hpc\/?page_id=45"},"modified":"2021-12-08T20:06:40","modified_gmt":"2021-12-08T20:06:40","slug":"topics","status":"publish","type":"page","link":"https:\/\/wordpress.cels.anl.gov\/molssi-hpc\/topics\/","title":{"rendered":"Topics"},"content":{"rendered":"\n<p class=\"wp-block-paragraph\">A suggested list of topics to familiarize attendees with concepts relevant at the intersection of molecular sciences and HPC, is given below: <\/p>\n\n\n\n<ul class=\"wp-block-list\"><li>Portable intranode parallel programming models and instruction vectorization (e.g., OpenMP, SYCL, CUDA, HIP, etc.)<\/li><li>Distributed memory programming models (e.g., MPI, PGAS, socket communication)<\/li><li>Mathematical libraries for HPC<\/li><li>Domain specific community-driven library initiatives for atomistic and\/or quantum mechanical simulations of chemical systems and materials<\/li><li>Scalable and robust I\/O performance<\/li><li>Performance modeling, analysis, assessment, and tuning<\/li><li>Best practices in modern software engineering<\/li><li>Workflows, schemas, datasets, data and code repositories<\/li><li>Elements for successful computational proposal writing<\/li><li>Applications using HPC and scalable applications<\/li><\/ul>\n\n\n\n<p class=\"wp-block-paragraph\"><\/p>\n","protected":false},"excerpt":{"rendered":"<p>A suggested list of topics to familiarize attendees with concepts relevant at the intersection of molecular sciences and HPC, is given below: Portable intranode parallel programming models and instruction vectorization (e.g., OpenMP, SYCL, CUDA, HIP, etc.) Distributed memory programming models &hellip; <a href=\"https:\/\/wordpress.cels.anl.gov\/molssi-hpc\/topics\/\">Continue reading <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":219,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_acf_changed":false,"_monsterinsights_skip_tracking":false,"footnotes":"","_members_access_role":[],"_members_access_error":""},"class_list":["post-45","page","type-page","status-publish","hentry"],"acf":[],"_links":{"self":[{"href":"https:\/\/wordpress.cels.anl.gov\/molssi-hpc\/wp-json\/wp\/v2\/pages\/45","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/wordpress.cels.anl.gov\/molssi-hpc\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/wordpress.cels.anl.gov\/molssi-hpc\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/wordpress.cels.anl.gov\/molssi-hpc\/wp-json\/wp\/v2\/users\/219"}],"replies":[{"embeddable":true,"href":"https:\/\/wordpress.cels.anl.gov\/molssi-hpc\/wp-json\/wp\/v2\/comments?post=45"}],"version-history":[{"count":5,"href":"https:\/\/wordpress.cels.anl.gov\/molssi-hpc\/wp-json\/wp\/v2\/pages\/45\/revisions"}],"predecessor-version":[{"id":123,"href":"https:\/\/wordpress.cels.anl.gov\/molssi-hpc\/wp-json\/wp\/v2\/pages\/45\/revisions\/123"}],"wp:attachment":[{"href":"https:\/\/wordpress.cels.anl.gov\/molssi-hpc\/wp-json\/wp\/v2\/media?parent=45"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}