{"id":1893,"date":"2014-10-21T09:52:09","date_gmt":"2014-10-21T09:52:09","guid":{"rendered":"http:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/?page_id=1893"},"modified":"2017-06-13T12:22:38","modified_gmt":"2017-06-13T12:22:38","slug":"vasp","status":"publish","type":"page","link":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/software\/applications\/vasp\/","title":{"rendered":"VASP"},"content":{"rendered":"<h2>Overview<\/h2>\n<p>The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. <\/p>\n<p>Version 5.4.4 &#8211; compiled with Intel compilers 14.0.3 and openmpi 1.8.3<br \/>\nVersion 5.4.1 &#8211; compiled with Intel compilers 14.0.3 and openmpi 1.6<\/p>\n<p>Versions 5.3.5 &#8211; compiled with Intel compilers 14.0.3 and openmpi 1.6 (using <code>-O2 -axAVX -msse4.2<\/code>). This installation will not work on the AMD nodes (as a result of some of the settings used when openmpi was compiled)<\/p>\n<h2>Restrictions on use<\/h2>\n<ul>\n<li>Only users from a Research Group that have purchased a license for VASP may use the software.<\/li>\n<li>The software cannot be accessed unless you are added to the <code>vasp53<\/code> unix group.<\/li>\n<li>All access must be authorised by the license holder.<\/li>\n<li>All users must be registered against the correct license with the VASP code developers in Vienna. Maximum 6 users per license.<\/li>\n<li>Use of VASP is &#8220;exclusively for non-profit research&#8221;. It is not to be &#8220;used in contractual research in co-operation with or for industry or for military insitutions.&#8221;<\/li>\n<li>Visitors and collaborators from other organisations are not permitted to access the software.<\/li>\n<\/ul>\n<h2>Version specific information<\/h2>\n<h3>Version 5.4.1 &#038; 5.4.4<\/h3>\n<p>Please see the <a href=\"v541\">VASP 5.4.1 &#038; 5.4.4 CSF documentation<\/a>.<\/p>\n<h3>Version 5.3.5<\/h3>\n<p>Please see the <a href=\"v535\">VASP 5.3.5 CSF documentation<\/a>.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Overview The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. Version 5.4.4 &#8211; compiled with Intel compilers 14.0.3 and openmpi 1.8.3 Version 5.4.1 &#8211; compiled with Intel compilers 14.0.3 and openmpi 1.6 Versions 5.3.5 &#8211; compiled with Intel compilers 14.0.3 and openmpi 1.6 (using -O2 -axAVX -msse4.2). This installation will not work on the AMD nodes (as.. <a href=\"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/software\/applications\/vasp\/\">Read more &raquo;<\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"parent":31,"menu_order":0,"comment_status":"open","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-1893","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/1893","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/comments?post=1893"}],"version-history":[{"count":20,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/1893\/revisions"}],"predecessor-version":[{"id":3908,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/1893\/revisions\/3908"}],"up":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/31"}],"wp:attachment":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/media?parent=1893"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}