{"id":1659,"date":"2010-09-17T15:59:23","date_gmt":"2010-09-17T13:59:23","guid":{"rendered":"http:\/\/www.ehu.es\/sgi\/Arina\/?p=1659"},"modified":"2013-04-29T10:54:21","modified_gmt":"2013-04-29T08:54:21","slug":"abinit-2","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/sgi\/kalkulu-softwarea\/abinit-2","title":{"rendered":"Abinit"},"content":{"rendered":"<h2>Informazio Orokorra<\/h2>\n<p>DFTren ab-initio kalkulu-programaren 7.0.4 bertsioa, uhin lau eta pseudopotentzialeko (ultrasoft eta PAW-augmented wave method) oinarriduna; bertsioa Lovainako Unibertsitate Katolikoan garatu dute. Lasaitze atomikoak egiteko aukera ematen du (dinamika molekularra).<\/p>\n<p>Hainbat plugginekin konpilatu egin da\u00a0<a href=\"http:\/\/www.unidata.ucar.edu\/software\/netcdf\/\" target=\"_top\">netcdf<\/a>,\u00a0<a href=\"http:\/\/inac.cea.fr\/L_Sim\/BigDFT\/\" target=\"_top\">bigdft<\/a>,\u00a0<a href=\"http:\/\/www.wannier.org\/\" target=\"_top\">wannier90<\/a>,\u00a0<a href=\"http:\/\/www.etsf.eu\/resources\/software\/libraries_and_tools\" target=\"_top\">etsf_io eta libxc<\/a>.<\/p>\n<h2>Nola Erabili<\/h2>\n<p>Programak\u00a0<tt>\/software\/bin\/abinit<\/tt> direktorioan daude. Horrela abinit exekutatzeko erabili<\/p>\n<pre><strong>\/software\/bin\/abinit\/abinit &lt; input.files &gt; out.log<\/strong><\/pre>\n<p>Eskatutako kore kopuruaren arabera paralelon exekutatuko da. Kalkuluak bidali daitezke ere [intlink id=\u00bb667&#8243; type=\u00bbpost\u00bb]qsub interaktiboa.[\/intlink] komandoarekin.<\/p>\n<p>Beste erabilera eta programa batzuk ere baditu, adibidez:<\/p>\n<p><tt>abinetcdf, abinitgw, aim, anaddb, anascr, band2eps, conducti, cut3d, lwf, macroave, mrgddb, mrggkk, mrgscr, newsp, optic, etab.<\/tt><\/p>\n<h2>Benchmark<\/h2>\n<p>Benchmark baten datuak aurkezten dizuegu 6.12.3 bertsioarekin egindakoak.<\/p>\n<table class=\"aligncenter\" style=\"width: 400px;\" border=\"0\" align=\"center\">\n<tbody>\n<tr>\n<td style=\"width: 100px;\"><strong>System<\/strong><\/td>\n<td style=\"width: 100px;\"><strong>1 cores<\/strong><\/td>\n<td style=\"width: 100px;\"><strong>4 cores<\/strong><\/td>\n<td style=\"width: 100px;\"><strong>8 cores<\/strong><\/td>\n<\/tr>\n<tr>\n<td>Xeon12<\/td>\n<td>7218<\/td>\n<td>2129<\/td>\n<td>1045<\/td>\n<\/tr>\n<tr>\n<td>Xeon8<\/td>\n<td>7275<\/td>\n<td>1918<\/td>\n<td>1165<\/td>\n<\/tr>\n<tr>\n<td>Itanium<\/td>\n<td>8018<\/td>\n<td>2082<\/td>\n<td>1491<\/td>\n<\/tr>\n<tr>\n<td>Opteron<\/td>\n<td>17162<\/td>\n<td>4877<\/td>\n<td>2802<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<p>Itanium eta xeon nodoak hoberenak direla ikusten da. Opteronak zertzobait atzean geratzen dira.<\/p>\n<h2>Informazio gehiago<\/h2>\n<p><a href=\"http:\/\/www.abinit.org\" target=\"_blank\">Abiniteko web orrialdea<\/a>.<br \/>\n<a href=\"http:\/\/www.abinit.org\/documentation\" target=\"_blank\">Eskuliburuak<\/a>.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Informazio Orokorra DFTren ab-initio kalkulu-programaren 7.0.4 bertsioa, uhin lau eta pseudopotentzialeko (ultrasoft eta PAW-augmented wave method) oinarriduna; bertsioa Lovainako Unibertsitate Katolikoan garatu dute. Lasaitze atomikoak egiteko aukera ematen du (dinamika molekularra). Hainbat plugginekin konpilatu egin da\u00a0netcdf,\u00a0bigdft,\u00a0wannier90,\u00a0etsf_io eta libxc. Nola Erabili Programak\u00a0\/software\/bin\/abinit direktorioan daude. Horrela abinit exekutatzeko erabili \/software\/bin\/abinit\/abinit &lt; input.files &gt; out.log Eskatutako kore kopuruaren &hellip; <a href=\"https:\/\/www.ehu.eus\/sgi\/kalkulu-softwarea\/abinit-2\" class=\"more-link\">Seguir leyendo <span class=\"screen-reader-text\">Abinit<\/span> <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_links_to":"","_links_to_target":""},"categories":[66],"tags":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/1659"}],"collection":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/comments?post=1659"}],"version-history":[{"count":12,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/1659\/revisions"}],"predecessor-version":[{"id":2788,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/1659\/revisions\/2788"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/media?parent=1659"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/categories?post=1659"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/tags?post=1659"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}