{"id":4545,"date":"2011-07-15T09:20:50","date_gmt":"2011-07-15T07:20:50","guid":{"rendered":"http:\/\/www.ehu.es\/sgi\/?p=4545"},"modified":"2016-03-08T13:28:43","modified_gmt":"2016-03-08T11:28:43","slug":"orca-2","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/sgi\/kalkulu-softwarea\/orca-2","title":{"rendered":"Orca"},"content":{"rendered":"<h1>Informazio Orokorra<\/h1>\n<p>Orca\u00a0kalkulu Kuantikoak egiten dituen programa malgu, eraginkorra eta\u00a0erabiltzeko erraza da.<br \/>\nGeruza irekiko molekulen ezaugarri espektroskopikoan kalkulurako oso egokia da. Kimika\u00a0kuantikoaren\u00a0metodo\u00a0estandarrak\u00a0semiempirikoak,\u00a0DFT\u00a0\u00a0ugari ditu.<\/p>\n<h1>Nola Erabili<\/h1>\n<p>Exekutagarriak\u00a0\u00a0<code>\/softwarea\/orca<\/code>\u00a0katalogoan instalatu dira, eta <code>send_orca<\/code> tresna\u00a0ere eraiki dugu lanak modu erraz batean bidali ahal izateko.<\/p>\n<p><a href=\"https:\/\/www.ehu.eus\/sgi\/lanak-bidali\/orca-nola-bidali?lang=eu\">\u00a0Nola bidali Orca lanak<\/a><\/p>\n<h1>Benchmarkak<\/h1>\n<p>Orca\u00a0(B3LYP\u00a0optimizazioa) \u00a0kalkulu batzuien benchmarkak ere gin dura zerbitzuko makinetan itaniumetako eraginkortasuna oso txikia izanik, ez dira datuak adierazten.<\/p>\n<table border=\"0\">\n<tbody>\n<tr>\n<td><strong>Cores Xeon<\/strong><\/td>\n<td><strong>Denbora<\/strong><\/td>\n<td><strong>Speed Up<\/strong><\/td>\n<td><strong>Eraginkortasuna<\/strong><\/td>\n<\/tr>\n<tr>\n<td>1<\/td>\n<td>3438<\/td>\n<td><\/td>\n<td>100%<\/td>\n<\/tr>\n<tr>\n<td>8<\/td>\n<td>498<\/td>\n<td>6.9<\/td>\n<td>86%<\/td>\n<\/tr>\n<tr>\n<td>16<\/td>\n<td>316<\/td>\n<td>10.90<\/td>\n<td>62%<\/td>\n<\/tr>\n<tr>\n<td>32<\/td>\n<td>218<\/td>\n<td>15.77<\/td>\n<td>50%<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n","protected":false},"excerpt":{"rendered":"<p>Informazio Orokorra Orca\u00a0kalkulu Kuantikoak egiten dituen programa malgu, eraginkorra eta\u00a0erabiltzeko erraza da. Geruza irekiko molekulen ezaugarri espektroskopikoan kalkulurako oso egokia da. Kimika\u00a0kuantikoaren\u00a0metodo\u00a0estandarrak\u00a0semiempirikoak,\u00a0DFT\u00a0\u00a0ugari ditu. Nola Erabili Exekutagarriak\u00a0\u00a0\/softwarea\/orca\u00a0katalogoan instalatu dira, eta send_orca tresna\u00a0ere eraiki dugu lanak modu erraz batean bidali ahal izateko. \u00a0Nola bidali Orca lanak Benchmarkak Orca\u00a0(B3LYP\u00a0optimizazioa) \u00a0kalkulu batzuien benchmarkak ere gin dura zerbitzuko makinetan itaniumetako &hellip; <a href=\"https:\/\/www.ehu.eus\/sgi\/kalkulu-softwarea\/orca-2\" class=\"more-link\">Seguir leyendo <span class=\"screen-reader-text\">Orca<\/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":[66,150,156],"tags":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/4545"}],"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=4545"}],"version-history":[{"count":12,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/4545\/revisions"}],"predecessor-version":[{"id":8428,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/4545\/revisions\/8428"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/media?parent=4545"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/categories?post=4545"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/tags?post=4545"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}