{"id":7227,"date":"2022-08-31T07:43:00","date_gmt":"2022-08-31T07:43:00","guid":{"rendered":"https:\/\/cc.eurohpc.pl\/?page_id=7227"},"modified":"2023-03-10T10:28:30","modified_gmt":"2023-03-10T10:28:30","slug":"icm-projekt-3","status":"publish","type":"page","link":"https:\/\/cc.eurohpc.pl\/index.php\/icm-projekt-3\/","title":{"rendered":"ICM projekt 3"},"content":{"rendered":"\t\t<div data-elementor-type=\"wp-page\" data-elementor-id=\"7227\" class=\"elementor elementor-7227\" data-elementor-post-type=\"page\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-61fd49b elementor-section-full_width elementor-section-height-default elementor-section-height-default\" data-id=\"61fd49b\" data-element_type=\"section\" data-e-type=\"section\" data-settings=\"{&quot;background_background&quot;:&quot;slideshow&quot;,&quot;background_slideshow_gallery&quot;:[{&quot;id&quot;:6996,&quot;url&quot;:&quot;https:\\\/\\\/cc.eurohpc.pl\\\/wp-content\\\/uploads\\\/2022\\\/08\\\/Group-30998.png&quot;}],&quot;background_slideshow_loop&quot;:&quot;yes&quot;,&quot;background_slideshow_slide_duration&quot;:5000,&quot;background_slideshow_slide_transition&quot;:&quot;fade&quot;,&quot;background_slideshow_transition_duration&quot;:500}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-249afb0\" data-id=\"249afb0\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-8bdb392 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"8bdb392\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-063864e\" data-id=\"063864e\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-3c22da8\" data-id=\"3c22da8\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-0103632 elementor-hidden-desktop elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"0103632\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-0805754\" data-id=\"0805754\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;gradient&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-bbbd524 elementor-widget__width-initial elementor-widget-tablet__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"bbbd524\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p><strong>VADIM ZHURAVLEV<br \/><\/strong>INTERDYSCYPLINARNE CENTRUM MODELOWANIA MATEMATYCZNEGO<br \/>I KOMPUTEROWEGO, UNIWERSYTET WARSZAWSKI<strong><br \/>PROMOTOR: <br \/><\/strong><strong>DR MAREK MICHALEWICZ (ICM UW)<\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-227c162 elementor-hidden-tablet elementor-hidden-mobile elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"227c162\" data-element_type=\"section\" data-e-type=\"section\" data-settings=\"{&quot;background_background&quot;:&quot;slideshow&quot;,&quot;background_slideshow_gallery&quot;:[],&quot;background_slideshow_loop&quot;:&quot;yes&quot;,&quot;background_slideshow_slide_duration&quot;:5000,&quot;background_slideshow_slide_transition&quot;:&quot;fade&quot;,&quot;background_slideshow_transition_duration&quot;:500}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-77bf2c8 elementor-hidden-tablet elementor-hidden-mobile\" data-id=\"77bf2c8\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;gradient&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-21aad33 elementor-widget__width-initial elementor-widget-tablet__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"21aad33\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p><strong>VADIM ZHURAVLEV<br \/><\/strong>INTERDYSCYPLINARNE CENTRUM MODELOWANIA MATEMATYCZNEGO <br \/>I KOMPUTEROWEGO, UNIWERSYTET WARSZAWSKI<br \/><strong>PROMOTOR: DR MAREK MICHALEWICZ (ICM UW)<\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-0f3c8eb\" data-id=\"0f3c8eb\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-76dc60c elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"76dc60c\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-23a5349\" data-id=\"23a5349\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-b0843bc elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"b0843bc\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p><strong>Obliczenia struktury elektronowej zaburzonego rutylu TiO2 na komputerze wektorowym<\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-a7fa65e\" data-id=\"a7fa65e\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-9602db0 elementor-section-full_width elementor-section-height-default elementor-section-height-default\" data-id=\"9602db0\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-b5d0dba\" data-id=\"b5d0dba\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-5a071af elementor-nav-menu__align-center elementor-nav-menu--dropdown-tablet elementor-nav-menu__text-align-aside elementor-widget elementor-widget-nav-menu\" data-id=\"5a071af\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;layout&quot;:&quot;horizontal&quot;,&quot;submenu_icon&quot;:{&quot;value&quot;:&quot;&lt;svg aria-hidden=\\&quot;true\\&quot; class=\\&quot;e-font-icon-svg e-fas-caret-down\\&quot; viewBox=\\&quot;0 0 320 512\\&quot; xmlns=\\&quot;http:\\\/\\\/www.w3.org\\\/2000\\\/svg\\&quot;&gt;&lt;path d=\\&quot;M31.3 192h257.3c17.8 0 26.7 21.5 14.1 34.1L174.1 354.8c-7.8 7.8-20.5 7.8-28.3 0L17.2 226.1C4.6 213.5 13.5 192 31.3 192z\\&quot;&gt;&lt;\\\/path&gt;&lt;\\\/svg&gt;&quot;,&quot;library&quot;:&quot;fa-solid&quot;}}\" data-widget_type=\"nav-menu.default\">\n\t\t\t\t\t\t\t\t<nav aria-label=\"Menu\" class=\"elementor-nav-menu--main elementor-nav-menu__container elementor-nav-menu--layout-horizontal e--pointer-none\">\n\t\t\t\t<ul id=\"menu-1-5a071af\" class=\"elementor-nav-menu\"><li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-5626\"><a href=\"#cel\" class=\"elementor-item elementor-item-anchor\">Cel projektu<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-5627\"><a href=\"#zadania\" class=\"elementor-item elementor-item-anchor\">Zadania dla superkomputera<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-5628\"><a href=\"#korzysci\" class=\"elementor-item elementor-item-anchor\">Korzy\u015bci ze wsp\u00f3\u0142pracy<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-5629\"><a href=\"#efekty\" class=\"elementor-item elementor-item-anchor\">Efekty<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-5630\"><a href=\"#rekomendacja\" class=\"elementor-item elementor-item-anchor\">Rekomendacja<\/a><\/li>\n<\/ul>\t\t\t<\/nav>\n\t\t\t\t\t\t<nav class=\"elementor-nav-menu--dropdown elementor-nav-menu__container\" aria-hidden=\"true\">\n\t\t\t\t<ul id=\"menu-2-5a071af\" class=\"elementor-nav-menu\"><li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-5626\"><a href=\"#cel\" class=\"elementor-item elementor-item-anchor\" tabindex=\"-1\">Cel projektu<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-5627\"><a href=\"#zadania\" class=\"elementor-item elementor-item-anchor\" tabindex=\"-1\">Zadania dla superkomputera<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-5628\"><a href=\"#korzysci\" class=\"elementor-item elementor-item-anchor\" tabindex=\"-1\">Korzy\u015bci ze wsp\u00f3\u0142pracy<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-5629\"><a href=\"#efekty\" class=\"elementor-item elementor-item-anchor\" tabindex=\"-1\">Efekty<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-5630\"><a href=\"#rekomendacja\" class=\"elementor-item elementor-item-anchor\" tabindex=\"-1\">Rekomendacja<\/a><\/li>\n<\/ul>\t\t\t<\/nav>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-f6c1726 elementor-section-height-min-height elementor-section-full_width elementor-hidden-tablet elementor-hidden-mobile elementor-section-height-default elementor-section-items-middle\" data-id=\"f6c1726\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-3247e39\" data-id=\"3247e39\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-0f34224 elementor-absolute elementor-widget elementor-widget-image\" data-id=\"0f34224\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;_position&quot;:&quot;absolute&quot;}\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img fetchpriority=\"high\" decoding=\"async\" width=\"377\" height=\"565\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53.png\" class=\"attachment-medium_large size-medium_large wp-image-7001\" alt=\"\" srcset=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53.png 377w, https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53-200x300.png 200w\" sizes=\"(max-width: 377px) 100vw, 377px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-be8ce12\" data-id=\"be8ce12\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-f318be1 elementor-widget elementor-widget-heading\" data-id=\"f318be1\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">CEL PROJEKTU<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-cb0299b elementor-widget elementor-widget-text-editor\" data-id=\"cb0299b\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Praca dyplomowa \u2013 magisterska dotyczy oblicze\u0144 struktury elektronowej rutylu (TiO2) na komputerze wektorowym NEC SX-Aurora TSUBASA. Przeprowadzenie tego typu oblicze\u0144 dla du\u017cych uk\u0142ad\u00f3w, tj. zawieraj\u0105cych miliony atom\u00f3w, w spos\u00f3b wydajny jest zadaniem bardzo kosztownym pod wzgl\u0119dem zasob\u00f3w obliczeniowych i wymaga dostosowania istniej\u0105cego oprogramowania do pracy na architekturze sprz\u0119towej NEC. Zadanie jest realizowane poprzez rozwi\u0105zanie r\u00f3wnania Schrodingera z Hamiltonianem ciasnego wi\u0105zania, w formalizmie metody r\u00f3wnania ruchu.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-368ad86 elementor-widget elementor-widget-heading\" data-id=\"368ad86\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">Cel projektu<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-766852d elementor-widget elementor-widget-text-editor\" data-id=\"766852d\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>G\u0142\u00f3wnym celem projektu jest przeprowadzenie oblicze\u0144 struktury elektronowej rutylu (TiO2) na komputerze wektorowym NEC SX-Aurora TSUBASA w dw\u00f3ch wariantach:<br \/>(i) dla uk\u0142adu niezaburzonego defektami strukturalnymi oraz<br \/>(ii) dla uk\u0142adu zawieraj\u0105cego defekty w postaci wakans\u00f3w tlenowych. <br \/>Do realizacji zadania zosta\u0142a wykorzystana istniej\u0105ca implementacja metody r\u00f3wnania ruchu.\u00a0 <br \/>Celem szczeg\u00f3\u0142owym by\u0142o dostosowanie programu do wydajnej pracy na architekturze wektorowej NEC, jego optymalizacja, a tak\u017ce przeprowadzenie test\u00f3w wydajno\u015bci i skalowania nowej wersji programu.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-f37b781\" data-id=\"f37b781\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-f03f06d elementor-widget elementor-widget-image\" data-id=\"f03f06d\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img decoding=\"async\" width=\"330\" height=\"609\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54.png\" class=\"attachment-medium_large size-medium_large wp-image-7002\" alt=\"\" srcset=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54.png 330w, https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54-163x300.png 163w\" sizes=\"(max-width: 330px) 100vw, 330px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-c48718b elementor-section-height-min-height elementor-hidden-desktop elementor-section-boxed elementor-section-height-default elementor-section-items-middle\" data-id=\"c48718b\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-60e831e\" data-id=\"60e831e\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-51c17bd elementor-widget elementor-widget-heading\" data-id=\"51c17bd\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">CEL PROJEKTU<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-45fd8ae elementor-widget elementor-widget-text-editor\" data-id=\"45fd8ae\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Praca dyplomowa \u2013 magisterska dotyczy oblicze\u0144 struktury elektronowej rutylu (TiO2) na komputerze wektorowym NEC SX-Aurora TSUBASA. Przeprowadzenie tego typu oblicze\u0144 dla du\u017cych uk\u0142ad\u00f3w, tj. zawieraj\u0105cych miliony atom\u00f3w, w spos\u00f3b wydajny jest zadaniem bardzo kosztownym pod wzgl\u0119dem zasob\u00f3w obliczeniowych i wymaga dostosowania istniej\u0105cego oprogramowania do pracy na architekturze sprz\u0119towej NEC. Zadanie jest realizowane poprzez rozwi\u0105zanie r\u00f3wnania Schrodingera z Hamiltonianem ciasnego wi\u0105zania, w formalizmie metody r\u00f3wnania ruchu.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-eca82df elementor-widget elementor-widget-heading\" data-id=\"eca82df\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">Cel projektu<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-d0b4daf elementor-widget elementor-widget-text-editor\" data-id=\"d0b4daf\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>G\u0142\u00f3wnym celem projektu jest przeprowadzenie oblicze\u0144 struktury elektronowej rutylu (TiO2) na komputerze wektorowym NEC SX-Aurora TSUBASA w dw\u00f3ch wariantach:<br \/>(i) dla uk\u0142adu niezaburzonego defektami strukturalnymi oraz<br \/>(ii) dla uk\u0142adu zawieraj\u0105cego defekty w postaci wakans\u00f3w tlenowych. <br \/>Do realizacji zadania zosta\u0142a wykorzystana istniej\u0105ca implementacja metody r\u00f3wnania ruchu.\u00a0 <br \/>Celem szczeg\u00f3\u0142owym by\u0142o dostosowanie programu do wydajnej pracy na architekturze wektorowej NEC, jego optymalizacja, a tak\u017ce przeprowadzenie test\u00f3w wydajno\u015bci i skalowania nowej wersji programu.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-1943621 elementor-absolute elementor-hidden-desktop elementor-widget elementor-widget-image\" data-id=\"1943621\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;_position&quot;:&quot;absolute&quot;}\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img decoding=\"async\" width=\"330\" height=\"609\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54.png\" class=\"attachment-large size-large wp-image-7002\" alt=\"\" srcset=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54.png 330w, https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54-163x300.png 163w\" sizes=\"(max-width: 330px) 100vw, 330px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-feb1210 elementor-absolute elementor-hidden-desktop elementor-widget elementor-widget-image\" data-id=\"feb1210\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;_position&quot;:&quot;absolute&quot;}\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img loading=\"lazy\" decoding=\"async\" width=\"377\" height=\"565\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53.png\" class=\"attachment-large size-large wp-image-7001\" alt=\"\" srcset=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53.png 377w, https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53-200x300.png 200w\" sizes=\"(max-width: 377px) 100vw, 377px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-5a9e3b8 elementor-section-full_width elementor-section-height-min-height elementor-section-height-default elementor-section-items-middle\" data-id=\"5a9e3b8\" data-element_type=\"section\" data-e-type=\"section\" id=\"zadania\" data-settings=\"{&quot;background_background&quot;:&quot;slideshow&quot;,&quot;background_slideshow_gallery&quot;:[{&quot;id&quot;:6997,&quot;url&quot;:&quot;https:\\\/\\\/cc.eurohpc.pl\\\/wp-content\\\/uploads\\\/2022\\\/08\\\/Group-30999.png&quot;}],&quot;background_slideshow_loop&quot;:&quot;yes&quot;,&quot;background_slideshow_slide_duration&quot;:5000,&quot;background_slideshow_slide_transition&quot;:&quot;fade&quot;,&quot;background_slideshow_transition_duration&quot;:500}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-8f3ab82\" data-id=\"8f3ab82\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-77b2154 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"77b2154\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-7c73b10\" data-id=\"7c73b10\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-9446273 elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"9446273\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>ZADANIA DLA <span style=\"color: #ffffff;\"><a style=\"color: #ffffff;\" href=\"https:\/\/kdm.icm.edu.pl\/Zasoby\/komputery_w_icm.pl\/\" target=\"_blank\" rel=\"noopener\">SUPERKOMPUTERA<\/a><\/span><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-38f1189 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"38f1189\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-0cfc31a\" data-id=\"0cfc31a\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-540978c elementor-widget elementor-widget-text-editor\" data-id=\"540978c\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>01.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-f2dd875\" data-id=\"f2dd875\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-31b3852 elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"31b3852\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-911328a elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"911328a\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Projekt zak\u0142ada\u0142 wykorzystanie implementacji r\u00f3wnania ruchu, kt\u00f3r\u0105 w oryginalnej wersji zaprojektowano do pracy na wcze\u015bniejszych generacjach komputer\u00f3w wektorowych (mi\u0119dzy innymi Cray-2 i NEC SX-4). Architektura NEC SX-Aurora TSUBASA stanowi najnowszy model serii SX i tym samym jest naturalnym \u015brodowiskiem pracy programu. Ponadto w czasie realizacji projektu jedyna taka platforma w Polsce by\u0142a dost\u0119pna w ramach infrastruktury obliczeniowej ICM.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-509105e elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"509105e\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-d99efa3\" data-id=\"d99efa3\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-7909b3e elementor-widget elementor-widget-text-editor\" data-id=\"7909b3e\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>02.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-733731a\" data-id=\"733731a\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-7bc5d0e elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"7bc5d0e\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-3333e87 elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"3333e87\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Wykonano obliczenia struktury elektronowej rutylu (TiO2) za pomoc\u0105 metody r\u00f3wnania ruchu. Prace obejmowa\u0142y tak\u017ce proces rozwijania oprogramowania \u2013 przystosowywania go do pracy na nowej architekturze sprz\u0119towej NEC (wektoryzacja, optymalizacja) \u2013 a ponadto testy wydajno\u015bci i skalowalno\u015bci. Obliczenia realizowano z wykorzystaniem o\u015bmiu kart rozszerze\u0144 komputera wektorowego (ang. vector engines).<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-b15303f elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"b15303f\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-ca207e9\" data-id=\"ca207e9\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-762f3e1 elementor-widget elementor-widget-text-editor\" data-id=\"762f3e1\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>03.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-6f09b7a\" data-id=\"6f09b7a\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-9dc2290 elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"9dc2290\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-b9fc5c9 elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"b9fc5c9\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Implementacja metody r\u00f3wnania ruchu by\u0142a rozwijana z wykorzystaniem narz\u0119dzi dedykowanych dla architektury NEC i dostarczonych przez producenta komputera: kompilatora j\u0119zyka Fortran, a tak\u017ce bibliotek (MPI) i program\u00f3w narz\u0119dziowych s\u0142u\u017c\u0105cych m.in. analizie wydajno\u015bci.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-fbdd900 elementor-section-height-min-height elementor-section-boxed elementor-section-height-default elementor-section-items-middle\" data-id=\"fbdd900\" data-element_type=\"section\" data-e-type=\"section\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-dba002c\" data-id=\"dba002c\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-016e038 elementor-section-height-min-height elementor-section-boxed elementor-section-height-default elementor-section-items-middle\" data-id=\"016e038\" data-element_type=\"section\" data-e-type=\"section\" id=\"korzysci\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-a351c29\" data-id=\"a351c29\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-8838cc5 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"8838cc5\" data-element_type=\"section\" data-e-type=\"section\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-65fb389\" data-id=\"65fb389\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-967096f elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"967096f\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>KORZY\u015aCI ZE WSP\u00d3\u0141PRACY Z <a href=\"https:\/\/task.gda.pl\/\" target=\"_blank\" rel=\"noopener\"><span style=\"color: #ffffff;\"><a href=\"https:\/\/icm.edu.pl\/\" target=\"_blank\" rel=\"noopener\"><span style=\"color: #ffffff;\">ICM UW<\/span><\/a><\/span><\/a><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-b6534b7 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"b6534b7\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-2d3a940\" data-id=\"2d3a940\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-bb1d809 elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"bb1d809\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Wykorzystanie komputera wektorowego do wyznaczania struktury elektronowej materia\u0142\u00f3w pozwala uzyska\u0107 wyniki dla uk\u0142ad\u00f3w w bezprecedensowej skali. Najwi\u0119ksza z obliczonych struktur zawiera\u0142a ponad 244 miliony atom\u00f3w w przypadku uk\u0142adu niezaburzonego defektami i ponad 30 milion\u00f3w atom\u00f3w dla uk\u0142adu zawieraj\u0105cego wakanse tlenowe. S\u0105 to struktury znacznie wi\u0119ksze ni\u017c kiedykolwiek uda\u0142o si\u0119 uzyska\u0107 za pomoc\u0105 implementacji tej metody.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-41a23f0\" data-id=\"41a23f0\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-8fdb0a4 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"8fdb0a4\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-027e4d9\" data-id=\"027e4d9\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-1e2a02f elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"1e2a02f\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Infrastruktura ICM udost\u0119pnia\u0142a <strong>jedyny w Polsce komputer NEC SX-Aurora TSUBASA.<\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-7923b09\" data-id=\"7923b09\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-02e1219 elementor-section-full_width elementor-hidden-tablet elementor-hidden-mobile elementor-section-height-default elementor-section-height-default\" data-id=\"02e1219\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-f53e906\" data-id=\"f53e906\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-c978395\" data-id=\"c978395\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-0ae5c26 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"0ae5c26\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-fcb6d63\" data-id=\"fcb6d63\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-c2944ea elementor-widget elementor-widget-image\" data-id=\"c2944ea\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img loading=\"lazy\" decoding=\"async\" width=\"20\" height=\"23\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/06\/Polygon-3.png\" class=\"attachment-large size-large wp-image-6058\" alt=\"\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-ac3a69a\" data-id=\"ac3a69a\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-7d783f8 elementor-widget elementor-widget-text-editor\" data-id=\"7d783f8\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>244 mln<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-28f8b5e\" data-id=\"28f8b5e\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-9287c87 elementor-widget elementor-widget-text-editor\" data-id=\"9287c87\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p style=\"text-align: left;\">ATOM\u00d3W W NAJWI\u0118KSZEJ OBLICZONEJ STRUKTURZE<strong><br \/><\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-919092f elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"919092f\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-e951832 elementor-hidden-tablet elementor-hidden-mobile\" data-id=\"e951832\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-d569848\" data-id=\"d569848\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-0102591 elementor-widget elementor-widget-image\" data-id=\"0102591\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img loading=\"lazy\" decoding=\"async\" width=\"20\" height=\"23\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/06\/Polygon-3.png\" class=\"attachment-large size-large wp-image-6058\" alt=\"\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-6ab2393\" data-id=\"6ab2393\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-e017ce4 elementor-widget elementor-widget-text-editor\" data-id=\"e017ce4\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>30 mln<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-d9bdeff\" data-id=\"d9bdeff\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-1d26cd6 elementor-widget elementor-widget-text-editor\" data-id=\"1d26cd6\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p style=\"text-align: left;\">ATOM\u00d3W DLA UK\u0141ADU ZAWIERAJ\u0104CEGO WAKANSE TLENOWE<strong><br \/><\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<div class=\"elementor-element elementor-element-54d057d elementor-widget elementor-widget-heading\" data-id=\"54d057d\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">EFEKTY<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-3bba619 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"3bba619\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-7823207\" data-id=\"7823207\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-6c51676\" data-id=\"6c51676\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-dd1a9a7 elementor-widget elementor-widget-text-editor\" data-id=\"dd1a9a7\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Efektem realizacji projektu jest powstanie nowej wersji implementacji metody r\u00f3wnania ruchu \u2013 \u201eEQMO\u201d, przystosowanej do wydajnej pracy na najnowszym komputerze wektorowym NEC. Proces rozwoju programu i uzyskane wyniki zosta\u0142y opisane w tre\u015bci pracy magisterskiej.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-036efb7 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"036efb7\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-205acf4\" data-id=\"205acf4\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-e90f94f elementor-widget elementor-widget-heading\" data-id=\"e90f94f\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">Efekty naukowe:<\/h2>\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-d3df3e8 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"d3df3e8\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-266dacf\" data-id=\"266dacf\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-14584a8\" data-id=\"14584a8\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-e824403 elementor-widget elementor-widget-text-editor\" data-id=\"e824403\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>V.Zhuravlev, M.Hermanowicz, M.T.Michalewicz<br \/>EQMO: Equation of motion method for efficient electronic structure calculations<br \/>Computer Physics Communications, vol. 267, October 2021, 108064<br \/>Publikacja: <a href=\"https:\/\/doi.org\/10.1016\/j.cpc.2021.108064\" target=\"_blank\" rel=\"noopener\">https:\/\/doi.org\/10.1016\/j.cpc.2021.108064<\/a><br \/>Program: <a href=\"https:\/\/doi.org\/10.17632\/5m7jp4nb4y.1\" target=\"_blank\" rel=\"noopener\">https:\/\/doi.org\/10.17632\/5m7jp4nb4y.1<\/a><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-10f205d elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"10f205d\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-0a3497d\" data-id=\"0a3497d\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-37b2910\" data-id=\"37b2910\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-1d7ef1b elementor-widget elementor-widget-text-editor\" data-id=\"1d7ef1b\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Program wraz z kodem \u017ar\u00f3d\u0142owym zosta\u0142 opublikowany w Computer Physics Communications (<a href=\"https:\/\/doi.org\/10.1016\/j.cpc.2021.108064\" target=\"_blank\" rel=\"noopener\">https:\/\/doi.org\/10.1016\/j.cpc.2021.108064<\/a>), a ponadto jest dost\u0119pny w publicznym repozytorium na licencji GNU General Public License v3: <a href=\"https:\/\/git.icm.edu.pl\/herman\/eqmo\" target=\"_blank\" rel=\"noopener\">https:\/\/git.icm.edu.pl\/herman\/eqmo<\/a><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-68a4019 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"68a4019\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-af575d6\" data-id=\"af575d6\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-1a3071d\" data-id=\"1a3071d\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-7ab5b6f elementor-widget elementor-widget-text-editor\" data-id=\"7ab5b6f\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Program stanowi baz\u0119 do dalszych prac rozwojowych i po stosownej modyfikacji mo\u017cliwe jest wykorzystanie go do bada\u0144 materia\u0142owych dla innych, bardziej z\u0142o\u017conych uk\u0142ad\u00f3w.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-682d101\" data-id=\"682d101\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-9e673e1 elementor-hidden-desktop elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"9e673e1\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-1efb0e9\" data-id=\"1efb0e9\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-e3d2ba6 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"e3d2ba6\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-9c188cc elementor-hidden-mobile\" data-id=\"9c188cc\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-678bbc3 elementor-widget elementor-widget-image\" data-id=\"678bbc3\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img loading=\"lazy\" decoding=\"async\" width=\"20\" height=\"23\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/06\/Polygon-3.png\" class=\"attachment-large size-large wp-image-6058\" alt=\"\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-1999c1c\" data-id=\"1999c1c\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-b8a33d8 elementor-widget elementor-widget-text-editor\" data-id=\"b8a33d8\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>244 mln<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-8dc3065\" data-id=\"8dc3065\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-e79a05a elementor-widget elementor-widget-text-editor\" data-id=\"e79a05a\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p style=\"text-align: left;\">ATOM\u00d3W W NAJWI\u0118KSZEJ OBLICZONEJ STRUKTURZE<strong><br \/><\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-4b19c24 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"4b19c24\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-f90814a elementor-hidden-mobile\" data-id=\"f90814a\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-2f03cb3 elementor-hidden-mobile\" data-id=\"2f03cb3\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-32376bc elementor-widget elementor-widget-image\" data-id=\"32376bc\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img loading=\"lazy\" decoding=\"async\" width=\"20\" height=\"23\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/06\/Polygon-3.png\" class=\"attachment-large size-large wp-image-6058\" alt=\"\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-da38818\" data-id=\"da38818\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-7186a33 elementor-widget elementor-widget-text-editor\" data-id=\"7186a33\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>30 mln<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-baf7ae2\" data-id=\"baf7ae2\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-97e8d8b elementor-widget elementor-widget-text-editor\" data-id=\"97e8d8b\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p style=\"text-align: left;\">ATOM\u00d3W DLA UK\u0141ADU ZAWIERAJ\u0104CEGO WAKANSE TLENOWE<strong><br \/><\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<div class=\"elementor-element elementor-element-321ade3 elementor-widget elementor-widget-heading\" data-id=\"321ade3\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">EFEKTY<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-35679d2 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"35679d2\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-1c7e9f3\" data-id=\"1c7e9f3\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-95b1ec7 elementor-widget elementor-widget-text-editor\" data-id=\"95b1ec7\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Efektem realizacji projektu jest powstanie nowej wersji implementacji metody r\u00f3wnania ruchu \u2013 \u201eEQMO\u201d, przystosowanej do wydajnej pracy na najnowszym komputerze wektorowym NEC. Proces rozwoju programu i uzyskane wyniki zosta\u0142y opisane w tre\u015bci pracy magisterskiej.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-18a20f2 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"18a20f2\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-1cfd212\" data-id=\"1cfd212\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-1f07be3 elementor-widget elementor-widget-heading\" data-id=\"1f07be3\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">Efekty naukowe:<\/h2>\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-1c0f843 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"1c0f843\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-04d31d6\" data-id=\"04d31d6\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-58bcf9e elementor-widget elementor-widget-text-editor\" data-id=\"58bcf9e\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>V.Zhuravlev, M.Hermanowicz, M.T.Michalewicz<br \/>EQMO: Equation of motion method for efficient electronic structure calculations<br \/>Computer Physics Communications, vol. 267, October 2021, 108064<br \/>Publikacja: <a href=\"https:\/\/doi.org\/10.1016\/j.cpc.2021.108064\" target=\"_blank\" rel=\"noopener\">https:\/\/doi.org\/10.1016\/j.cpc.2021.108064<\/a><br \/>Program: <a href=\"https:\/\/doi.org\/10.17632\/5m7jp4nb4y.1\" target=\"_blank\" rel=\"noopener\">https:\/\/doi.org\/10.17632\/5m7jp4nb4y.1<\/a><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-48f98e2 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"48f98e2\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-48d2d97\" data-id=\"48d2d97\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-7cf43b1 elementor-widget elementor-widget-text-editor\" data-id=\"7cf43b1\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Program wraz z kodem \u017ar\u00f3d\u0142owym zosta\u0142 opublikowany w Computer Physics Communications (<a href=\"https:\/\/doi.org\/10.1016\/j.cpc.2021.108064\" target=\"_blank\" rel=\"noopener\">https:\/\/doi.org\/10.1016\/j.cpc.2021.108064<\/a>), a ponadto jest dost\u0119pny w publicznym repozytorium na licencji GNU General Public License v3: <a href=\"https:\/\/git.icm.edu.pl\/herman\/eqmo\" target=\"_blank\" rel=\"noopener\">https:\/\/git.icm.edu.pl\/herman\/eqmo<\/a><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-b7a9530 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"b7a9530\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-a8df217\" data-id=\"a8df217\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-1d444c2 elementor-widget elementor-widget-text-editor\" data-id=\"1d444c2\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Program stanowi baz\u0119 do dalszych prac rozwojowych i po stosownej modyfikacji mo\u017cliwe jest wykorzystanie go do bada\u0144 materia\u0142owych dla innych, bardziej z\u0142o\u017conych uk\u0142ad\u00f3w.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<div class=\"elementor-element elementor-element-ae37040 elementor-absolute elementor-hidden-desktop elementor-widget elementor-widget-image\" data-id=\"ae37040\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;_position&quot;:&quot;absolute&quot;}\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img loading=\"lazy\" decoding=\"async\" width=\"377\" height=\"565\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53.png\" class=\"attachment-large size-large wp-image-7001\" alt=\"\" srcset=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53.png 377w, https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53-200x300.png 200w\" sizes=\"(max-width: 377px) 100vw, 377px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-3825547 elementor-widget-tablet__width-initial elementor-absolute elementor-hidden-desktop elementor-widget elementor-widget-image\" data-id=\"3825547\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;_position&quot;:&quot;absolute&quot;}\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img decoding=\"async\" width=\"330\" height=\"609\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54.png\" class=\"attachment-large size-large wp-image-7002\" alt=\"\" srcset=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54.png 330w, https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54-163x300.png 163w\" sizes=\"(max-width: 330px) 100vw, 330px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-f0cf102 elementor-section-height-min-height elementor-section-boxed elementor-section-height-default elementor-section-items-middle\" data-id=\"f0cf102\" data-element_type=\"section\" data-e-type=\"section\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-4cc81f8\" data-id=\"4cc81f8\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-8523910 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"8523910\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-570351e\" data-id=\"570351e\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-825990f elementor-widget elementor-widget-text-editor\" data-id=\"825990f\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p style=\"text-align: center;\">ZOBACZ POZOSTA\u0141E<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-3a77ba9\" data-id=\"3a77ba9\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-1bda88a elementor-absolute elementor-hidden-tablet elementor-hidden-mobile elementor-view-default elementor-widget elementor-widget-icon\" data-id=\"1bda88a\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;_position&quot;:&quot;absolute&quot;}\" data-widget_type=\"icon.default\">\n\t\t\t\t\t\t\t<div class=\"elementor-icon-wrapper\">\n\t\t\t<a class=\"elementor-icon\" href=\"https:\/\/cc.eurohpc.pl\/index.php\/projekty-zrealizowane-dzieki-zastosowaniu-hpc\/\" target=\"_blank\">\n\t\t\t<svg xmlns=\"http:\/\/www.w3.org\/2000\/svg\" viewBox=\"0 0 507.41 42.62\"><defs><style>.cls-1{fill:none;stroke:#aa8424;stroke-miterlimit:10;stroke-width:3px;}<\/style><\/defs><title>kreska_uko\u015bna<\/title><g id=\"Warstwa_2\" data-name=\"Warstwa 2\"><g id=\"Warstwa_1-2\" data-name=\"Warstwa 1\"><polyline class=\"cls-1\" points=\"507.41 41.12 3.91 41.12 48.41 1.12\"><\/polyline><\/g><\/g><\/svg>\t\t\t<\/a>\n\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-1c764f1 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"1c764f1\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-3683145\" data-id=\"3683145\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-a0415f5\" data-id=\"a0415f5\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-3e72d8b elementor-widget elementor-widget-text-editor\" data-id=\"3e72d8b\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p style=\"text-align: center;\"><a href=\"https:\/\/cc.eurohpc.pl\/\" target=\"_blank\" rel=\"noopener\"><strong>POWR\u00d3T DO MAPY<\/strong><\/a><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-d8d5360 elementor-section-height-min-height elementor-section-boxed elementor-section-height-default elementor-section-items-middle\" data-id=\"d8d5360\" data-element_type=\"section\" data-e-type=\"section\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-b30f078\" data-id=\"b30f078\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"<p>VADIM ZHURAVLEVINTERDYSCYPLINARNE CENTRUM MODELOWANIA MATEMATYCZNEGOI KOMPUTEROWEGO, UNIWERSYTET WARSZAWSKIPROMOTOR: DR MAREK MICHALEWICZ (ICM UW) VADIM ZHURAVLEVINTERDYSCYPLINARNE CENTRUM MODELOWANIA MATEMATYCZNEGO I KOMPUTEROWEGO, UNIWERSYTET WARSZAWSKIPROMOTOR: DR MAREK MICHALEWICZ (ICM UW) Obliczenia struktury elektronowej zaburzonego rutylu TiO2 na komputerze wektorowym CEL PROJEKTU Praca dyplomowa \u2013 magisterska dotyczy oblicze\u0144 struktury elektronowej rutylu (TiO2) na komputerze wektorowym NEC SX-Aurora TSUBASA. Przeprowadzenie&hellip;&nbsp;<a href=\"https:\/\/cc.eurohpc.pl\/index.php\/icm-projekt-3\/\" rel=\"bookmark\">Dowiedz si\u0119 wi\u0119cej &raquo;<span class=\"screen-reader-text\">ICM projekt 3<\/span><\/a><\/p>\n","protected":false},"author":5,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"page-templates\/template-pagebuilder-full-width.php","meta":{"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"neve_meta_sidebar":"","neve_meta_container":"","neve_meta_enable_content_width":"","neve_meta_content_width":0,"neve_meta_title_alignment":"","neve_meta_author_avatar":"","neve_post_elements_order":"","neve_meta_disable_header":"","neve_meta_disable_footer":"","neve_meta_disable_title":"","footnotes":""},"class_list":["post-7227","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/pages\/7227","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/users\/5"}],"replies":[{"embeddable":true,"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/comments?post=7227"}],"version-history":[{"count":57,"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/pages\/7227\/revisions"}],"predecessor-version":[{"id":8377,"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/pages\/7227\/revisions\/8377"}],"wp:attachment":[{"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/media?parent=7227"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}