{"id":1673,"date":"2010-09-17T16:45:20","date_gmt":"2010-09-17T14:45:20","guid":{"rendered":"http:\/\/www.ehu.es\/sgi\/Arina\/?p=1673"},"modified":"2011-12-05T02:19:30","modified_gmt":"2011-12-05T00:19:30","slug":"bigdft","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/sgi\/software-de-calculo\/bigdft","title":{"rendered":"BigDFT"},"content":{"rendered":"<h2>Informaci\u00f3n general<\/h2>\n<p>Versi\u00f3n 1.5.1 del del programa de c\u00e1lculo de estructura electr\u00f3nica ab-initio de DFT masivamente paralelo usando una base de wavelets en el espacio real.<!--more--><\/p>\n<h2>C\u00f3mo usar<\/h2>\n<p>Los binarios est\u00e1n en\u00a0<tt>\/software\/bin\/bigdft<\/tt>. Entonces para ejecutar bigdft usar<\/p>\n<pre>\/software\/bin\/bigdft\/bigdft<\/pre>\n<p>Seg\u00fan el n\u00famero de procesadores solicitados se ejecutar\u00e1 directamente en paralelo. Existen otras utilidades como<\/p>\n<p><tt>abscalc bart bigdft frequencies MDanalysis memguess NEB rism test_forces<\/tt><\/p>\n<h2><big><strong>Benchmark<\/strong><\/big><\/h2>\n<p>Presentamos los datos de un peque\u00f1o benchmark, los resultados son segundos de ejecuci\u00f3n. Trataremos de actualizarlo a un c\u00e1lculo m\u00e1s realista<\/p>\n<table border=\"1\" cellpadding=\"3\">\n<tbody>\n<tr>\n<td align=\"LEFT\"><strong>System<\/strong><\/td>\n<td align=\"RIGHT\"><strong>1 core<\/strong><\/td>\n<\/tr>\n<tr>\n<td align=\"LEFT\">Xeon<\/td>\n<td align=\"RIGHT\">18<\/td>\n<\/tr>\n<tr>\n<td align=\"LEFT\">Itanium<\/td>\n<td align=\"RIGHT\">28<\/td>\n<\/tr>\n<tr>\n<td align=\"LEFT\">Opteron<\/td>\n<td align=\"RIGHT\">46<\/td>\n<\/tr>\n<tr>\n<td align=\"LEFT\">Core2duo<\/td>\n<td align=\"RIGHT\">37<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h2>M\u00e1s informaci\u00f3n<\/h2>\n<p><a href=\"http:\/\/inac.cea.fr\/L_Sim\/BigDFT\/\" target=\"_top\"><big>P\u00e1gina web de BigDFT<\/big><\/a>.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Informaci\u00f3n general Versi\u00f3n 1.5.1 del del programa de c\u00e1lculo de estructura electr\u00f3nica ab-initio de DFT masivamente paralelo usando una base de wavelets en el espacio real.<\/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":[148,3],"tags":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/1673"}],"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=1673"}],"version-history":[{"count":7,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/1673\/revisions"}],"predecessor-version":[{"id":2041,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/1673\/revisions\/2041"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/media?parent=1673"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/categories?post=1673"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/tags?post=1673"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}