{"id":2970,"date":"2021-12-24T15:32:14","date_gmt":"2021-12-24T06:32:14","guid":{"rendered":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/news\/2970"},"modified":"2021-12-24T15:32:14","modified_gmt":"2021-12-24T06:32:14","slug":"vasp%e3%81%ae%e3%82%b3%e3%83%b3%e3%83%91%e3%82%a4%e3%83%ab%e6%b8%88%e3%81%bf%e3%83%90%e3%82%a4%e3%83%8a%e3%83%aa%e3%81%ae%e5%88%a9%e7%94%a8%e3%81%ab%e3%81%a4%e3%81%84%e3%81%a6","status":"publish","type":"news","link":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/news\/2970","title":{"rendered":"VASP\u306e\u30b3\u30f3\u30d1\u30a4\u30eb\u6e08\u307f\u30d0\u30a4\u30ca\u30ea\u306e\u5229\u7528\u306b\u3064\u3044\u3066"},"content":{"rendered":"<p>\u7269\u6027\u7814\u30b9\u30fc\u30d1\u30fc\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u30b7\u30b9\u30c6\u30e0\u5171\u540c\u5229\u7528<br \/>\u7814\u7a76\u4ee3\u8868\u8005\u30fb\u5171\u540c\u7814\u7a76\u8005\u5404\u4f4d<\/p>\r\n<p>&nbsp;<\/p>\r\n<div>\u5e73\u7d20\u3088\u308a\u7269\u6027\u7814\u30b9\u30fc\u30d1\u30fc\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u30b7\u30b9\u30c6\u30e0\u3092<br \/>\u3054\u5229\u7528\u3044\u305f\u3060\u304d\u3042\u308a\u304c\u3068\u3046\u3054\u3056\u3044\u307e\u3059\u3002<\/div>\r\n<p>&nbsp;<\/p>\r\n<p>VASP\u306e\u30b3\u30f3\u30d1\u30a4\u30eb\u6e08\u307f\u30d0\u30a4\u30ca\u30ea\u3092\u5229\u7528\u4e2d\u306e\u65b9\u3001<br \/>\u304a\u3088\u3073\u5229\u7528\u4e88\u5b9a\u306e\u65b9\u306b\u5bfe\u3059\u308b\u3054\u6848\u5185\u306b\u306a\u308a\u307e\u3059\u3002<\/p>\r\n<p>&nbsp;<\/p>\r\n<div>\u30b7\u30b9\u30c6\u30e0B(ohtaka)\u306bvasp.6.2.<wbr \/>1\u3092\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u81f4\u3057\u307e\u3057\u305f\u3002<\/div>\r\n<div><\/div>\r\n<div>\u3054\u5229\u7528\u5e0c\u671b\u306e\u65b9\u306f\u4e0b\u8a18\u306e\u5229\u7528\u767b\u9332\u7533\u8acb\u65b9\u6cd5\u306b\u5f93\u3044\u3001<\/div>\r\n<div>\u7533\u8acb\u3092\u884c\u3063\u3066\u304f\u3060\u3055\u3044\u3002<\/div>\r\n<p>&nbsp;<\/p>\r\n<div>(\u6ce8\uff11) \u65e2\u306bVASP5 \u306e\u30b3\u30f3\u30d1\u30a4\u30eb\u6e08\u307f\u30d0\u30a4\u30ca\u30ea\u3092\u3054\u5229\u7528\u306e\u65b9\u306e\u3046\u3061\u3001<\/div>\r\n<div>VASP6\u306e\u30e9\u30a4\u30bb\u30f3\u30b9\u3092\u6709\u3057\u3066\u3044\u308b\u65b9\u306f\u3001<\/div>\r\n<div>\u6539\u3081\u3066\u5229\u7528\u767b\u9332\u7533\u8acb\u3092\u884c\u3046\u5fc5\u8981\u306f\u3054\u3056\u3044\u307e\u305b\u3093\u3002<\/div>\r\n<p>&nbsp;<\/p>\r\n<div>(\u6ce8\uff12) \u4e0b\u8a18\u30c7\u30a3\u30ec\u30af\u30c8\u30ea<\/div>\r\n<div>ohtaka, VASP5: \/home\/issp\/vasp\/vasp5\/<br \/>\r\n<div>ohtaka, VASP6: \/home\/issp\/vasp\/vasp6\/<\/div>\r\n<\/div>\r\n<div>\u306b\u30a2\u30af\u30bb\u30b9\u3067\u304d\u306a\u3044\u5834\u5408\u3001<\/div>\r\n<div>VASP\u30e9\u30a4\u30bb\u30f3\u30b9\u78ba\u8a8d\u304c\u306a\u3055\u308c\u3066\u3044\u306a\u3044\u53ef\u80fd\u6027\u304c\u3042\u308b\u305f\u3081\u3001<\/div>\r\n<div>\u304a\u624b\u6570\u3067\u3059\u304c\u518d\u5ea6\u4e0b\u8a18\u306e\u5229\u7528\u767b\u9332\u7533\u8acb\u3092\u884c\u3063\u3066\u304f\u3060\u3055\u3044\u3002<\/div>\r\n<p>&nbsp;<\/p>\r\n<div>==============================<wbr \/>=========================<\/div>\r\n<p>\u3010\u5229\u7528\u767b\u9332\u7533\u8acb\u65b9\u6cd5\u3011<\/p>\r\n<p>&nbsp;<\/p>\r\n<p><br \/><br \/>\u3054\u5229\u7528\u9802\u304f\u305f\u3081\u306b\u306f\u3001\u30e6\u30fc\u30b6\u69d8\u3054\u81ea\u8eab\u3067VASP\u30e9\u30a4\u30bb\u30f3\u30b9\u3092<\/p>\r\n<div>\u3054\u8cfc\u5165\u3057\u3066\u3044\u305f\u3060\u304f\u5fc5\u8981\u304c\u3042\u308a\u307e\u3059\u3002<\/div>\r\n<div>VASP5\u306e\u307f\u306e\u30e9\u30a4\u30bb\u30f3\u30b9\u3092\u304a\u6301\u3061\u306e\u65b9\u306f\u3001<wbr \/>VASP6\u306f\u3054\u5229\u7528\u3044\u305f\u3060\u3051\u307e\u305b\u3093\u3002<\/div>\r\n<p>&nbsp;<\/p>\r\n<p>VASP\u306e\u30b3\u30f3\u30d1\u30a4\u30eb\u6e08\u307f\u30d0\u30a4\u30ca\u30ea\u306e\u5229\u7528\u3092\u5e0c\u671b\u3055\u308c\u308b\u30e6\u30fc\u30b6\u69d8\u306f<wbr \/>\u3001<br \/>VASP\u30b0\u30eb\u30fc\u30d7\u306b\u30e9\u30a4\u30bb\u30f3\u30b9\u767b\u9332\u3057\u305f\u3054\u6c0f\u540d\u3001<wbr \/>\u30e1\u30fc\u30eb\u30a2\u30c9\u30ec\u30b9\u306a\u3069\u306e<br \/>\u4e0b\u8a18\u9805\u76ee\u3092<a href=\"mailto:center__at__issp.u-tokyo.ac.jp\" target=\"_blank\" rel=\"noopener\">center__at__issp.u-tokyo.ac.jp<\/a>(__at__\u3092@\u306b\u3057\u3066\u4e0b\u3055\u3044\u3002)<wbr \/>\u307e\u3067\u304a\u9001\u308a\u304f\u3060\u3055\u3044\u3002<\/p>\r\n<p>&nbsp;<\/p>\r\n&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;\r\n\u4ef6\u540d\uff1aVASP\u5229\u7528\u767b\u9332\u7533\u8acb<br \/>\u00a0<br \/>\r\n\u5229\u7528\u5e0c\u671b\u8005\u306eID\u3001\u6c0f\u540d\uff08\u65e5\u672c\u8a9e\u3001\u82f1\u8a9e\uff09\uff1a\r\n<br \/><br \/>\u5229\u7528\u8005\u306e\u30e1\u30fc\u30eb\u30a2\u30c9\u30ec\u30b9\uff1a\r\n<br \/>\u203b\u300cID\u300d\u306f\u7269\u6027\u7814\u30b9\u30d1\u30b3\u30f3\u30b7\u30b9\u30c6\u30e0\u3067\u306e\u30e6\u30fc\u30b6ID\u306e\u3053\u3068\u3002<br \/>\r\n\u203b<wbr \/>\u30e1\u30fc\u30eb\u30a2\u30c9\u30ec\u30b9\u306fVASP\u30dd\u30fc\u30bf\u30eb\u306b\u767b\u9332\u3057\u3066\u3044\u308b\u3082\u306e\u3092\u8a18\u8f09\u3059\u308b\u3053\u3068\u3002\r\n&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;&#8212;\r\n<p>&nbsp;<\/p>\r\n<br \/><br \/>VASP\u7ba1\u7406\u8005\u306b\u30e9\u30a4\u30bb\u30f3\u30b9\u72b6\u6cc1\u3092\u78ba\u8a8d\u5f8c\u3001<br \/>VASP\u3092\u5229\u7528\u53ef\u80fd\u306a\u72b6\u614b\u306b\u8a2d\u5b9a\u3057\u3001<wbr \/>\u5229\u7528\u65b9\u6cd5\u306b\u3064\u3044\u3066\u3054\u9023\u7d61\u3044\u305f\u3057\u307e\u3059\u3002<br \/><br \/>\r\n<p>&nbsp;<\/p>\r\n\u306a\u304a\u3001<wbr \/>\u53d6\u5f97\u3057\u305f\u30e9\u30a4\u30bb\u30f3\u30b9\u3092\u5143\u306bVASP\u30bd\u30fc\u30b9\u30b3\u30fc\u30c9\u3092\u30c0\u30a6\u30f3\u30ed\u30fc\u30c9\u3057<wbr \/>\u3001<br \/>\u3054\u81ea\u8eab\u3067\u30d3\u30eb\u30c9\u3057\u3066\u5229\u7528\u3059\u308b\u3053\u3068\u306f\u3001<wbr \/>\u4e0a\u8a18\u306e\u624b\u7d9a\u304d\u3092\u7d4c\u306a\u3044\u3067\u3082\u53ef\u80fd\u3067\u3059\u3002\r\n<p>&nbsp;<\/p>\r\n<br \/>==============================<wbr \/>=========================<br \/><br \/>\r\n<p>&nbsp;<\/p>\r\n<p>&nbsp;<\/p>\r\n<br \/>==============================<wbr \/>=========================<br \/>\u3010VASP\u306e\u30b3\u30f3\u30d1\u30a4\u30eb\u6e08\u307f\u30d0\u30a4\u30ca\u30ea\u306e\u5229\u7528\u65b9\u6cd5\u3011<br \/><br \/>\r\n<p>&nbsp;<\/p>\r\n<div>\u203b<wbr \/>\u7269\u6027\u7814\u30b9\u30d1\u30b3\u30f3\u306bVASP\u306e\u30b3\u30f3\u30d1\u30a4\u30eb\u6e08\u307f\u30d0\u30a4\u30ca\u30ea\u3092\u5229\u7528\u3059\u308b\u305f<wbr \/>\u3081\u306b\u306f\u3001<\/div>\r\n<div>\u3000\u7269\u6027\u7814\u5927\u578b\u8a08\u7b97\u6a5f\u5ba4\u5b9b\u306bVASP\u30b0\u30eb\u30fc\u30d7\u3078\u306e\u5229\u7528\u767b\u9332\u7533\u8acb\u3092\u884c\u3046<wbr \/>\u5fc5\u8981\u304c\u3042\u308a\u307e\u3059\u3002<\/div>\r\n<p>&nbsp;<\/p>\r\n<p><br \/>\u30b3\u30f3\u30d1\u30a4\u30eb\u306b\u5229\u7528\u3057\u305fmakefile.<wbr \/>include\u306f\u4e0b\u8a18\u306e\u30c7\u30a3\u30ec\u30af\u30c8\u30ea<br \/>\/home\/issp\/vasp\/makefile.<wbr \/>include<br \/>\u306b\u683c\u7d0d\u3057\u3066\u304a\u308a\u307e\u3059\u3002\r\n<p>&nbsp;<\/p>\r\n<br \/><br \/>\u203b<wbr \/>\u7279\u306bVASP6\u306f\u5b9f\u884c\u6642\u306b\u3044\u304f\u3064\u304b\u554f\u984c\u304c\u751f\u3058\u308b\u53ef\u80fd\u6027\u304c\u3042\u308a\u307e\u3059<wbr \/>\u3002<br \/>\u3000\u554f\u984c\u306b\u3064\u3044\u3066\u306f\u3001<br \/>\u3000\/home\/issp\/vasp\/make.include\/<wbr \/>vasp.6.2.1_cluster\/memo_<wbr \/>install_issues.txt<br \/>\u3000\u306b\u8a18\u8f09\u3057\u3066\u304a\u308a\u307e\u3059\u306e\u3067\u3001\u3054\u4f7f\u7528\u306e\u969b\u306f\u3054\u6ce8\u610f\u304f\u3060\u3055\u3044\u3002<br \/>\u00a0<br \/>\u30b3\u30f3\u30d1\u30a4\u30eb\u6e08\u307f\u30d0\u30a4\u30ca\u30ea\u306f\u3001<wbr \/>\u4ee5\u4e0b\u306e\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u306b\u683c\u7d0d\u3057\u3066\u304a\u308a\u307e\u3059\u3002<br \/>ohtaka, VASP5: \/home\/issp\/vasp\/vasp5\/vasp.5.<wbr \/>4.4.pl2\/bin<\/p>\r\n<div>ohtaka, VASP6: \/home\/issp\/vasp\/vasp6\/vasp.6.<wbr \/>2.1_cluster\/bin<\/div>\r\n<div><\/div>\r\n<p>&nbsp;<\/p>\r\n<p>\u30b5\u30f3\u30d7\u30eb\u30a4\u30f3\u30d7\u30c3\u30c8\u306f<br \/>ohtaka, VASP5: \/home\/issp\/vasp\/vasp5\/vasp.5.<wbr \/>4.4.pl2\/sample<br \/>ohtaka, VASP6: \/home\/issp\/vasp\/vasp6\/vasp.6.<wbr \/>2.1_cluster\/sample<\/p>\r\n<div>\u306b\u7528\u610f\u3057\u3066\u304a\u308a\u307e\u3059\u3002<\/div>\r\n<p>&nbsp;<\/p>\r\n<p>\u3054\u81ea\u8eab\u306e\/home\u3042\u308b\u3044\u306f\/<wbr \/>work\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u306b\u30b3\u30d4\u30fc\u3044\u305f\u3060\u304d\u3001<br \/>(ohtaka) $ sbatch sub.sh<br \/>\u306a\u3069\u3068\u3059\u308b\u3053\u3068\u3067\u5b9f\u884c\u53ef\u80fd\u3067\u3059\u3002<br \/>\r\n<p>&nbsp;<\/p>\r\nVASP\u306e\u30a4\u30f3\u30d7\u30c3\u30c8\u306e\u4f5c\u6210\u306a\u3069\u306b\u3064\u3044\u3066\u306e\u8a73\u7d30\u306f\u3001<br \/><a href=\"http:\/\/www.vasp.at\" target=\"_blank\" data-saferedirecturl=\"https:\/\/www.google.com\/url?q=http:\/\/www.vasp.at&amp;source=gmail&amp;ust=1640409967413000&amp;usg=AOvVaw0Yrxnq9gorFpD7YjxDHMF-\" rel=\"noopener\">http:\/\/www.vasp.at<\/a><br \/>\u3092\u3054\u53c2\u7167\u304f\u3060\u3055\u3044\u3002\r\n<p>&nbsp;<\/p>\r\n<br \/><br \/>\u306a\u304a\u3001<wbr \/>\u7269\u6027\u7814\u30b7\u30b9\u30c6\u30e0\u3067\u63d0\u4f9b\u3059\u308bVASP\u5b9f\u884c\u30d0\u30a4\u30ca\u30ea\u3092\u30b3\u30d4\u30fc\u3057\u3066<br \/>\u5225\u306e\u30e6\u30fc\u30b6\u306b\u5229\u7528\u3055\u305b\u308b\u3053\u3068\u306f\u3001\u7d76\u5bfe\u306b\u884c\u308f\u306a\u3044\u3067\u304f\u3060\u3055\u3044\u3002<br \/>\u91cd\u5927\u306a\u30e9\u30a4\u30bb\u30f3\u30b9\u9055\u53cd\u3068\u306a\u308a\u307e\u3059\u3002\r\n<p>&nbsp;<\/p>\r\n<br \/>\u307e\u305f\u3001\u7269\u6027\u7814\u30b7\u30b9\u30c6\u30e0\u306b\u304a\u304d\u307e\u3057\u3066\u306f\u3001<br \/>VASP\u63d0\u4f9b\u5143\u3068\u540c\u69d8\u306b\u3001\u5b9f\u884c\u7d50\u679c\u306b\u95a2\u3059\u308b\u8cac\u4efb\u3092<br \/>\u8ca0\u3046\u3053\u3068\u306f\u3067\u304d\u306a\u3044\u65e8\u3054\u4e86\u627f\u304f\u3060\u3055\u3044\u3002<br \/>==============================<wbr \/>=========================<br \/><br \/><\/p>\r\n<p>&nbsp;<\/p>\r\n<div>\u30e9\u30a4\u30bb\u30f3\u30b9\u306e\u8cfc\u5165\u3001<wbr \/>\u53ca\u3073\u7269\u6027\u7814\u30b7\u30b9\u30c6\u30e0\u56fa\u6709\u306e\u4e8b\u9805\u4ee5\u5916\u306e\u8cea\u554f\u7b49\u306f\u3001<\/div>\r\n<div>VASP GROUP\u307e\u3067\u304a\u554f\u3044\u5408\u308f\u305b\u304f\u3060\u3055\u3044:<\/div>\r\n<p><a href=\"http:\/\/www.vasp.at\" target=\"_blank\" data-saferedirecturl=\"https:\/\/www.google.com\/url?q=http:\/\/www.vasp.at&amp;source=gmail&amp;ust=1640409967413000&amp;usg=AOvVaw0Yrxnq9gorFpD7YjxDHMF-\" rel=\"noopener\">http:\/\/www.vasp.at<\/a><br \/>\u00a0<br \/>\u7269\u6027\u7814\u56fa\u6709\u306e\u4e8b\u9805\u306b\u3064\u3044\u3066\u306f\u3001<br \/>center-apps__at__issp.u-tokyo.ac.jp (__at__\u3092@\u306b\u3057\u3066\u4e0b\u3055\u3044\u3002)<\/p>\r\n<div>\u307e\u3067\u304a\u554f\u3044\u5408\u308f\u305b\u304f\u3060\u3055\u3044\u3002<\/div>\r\n<div><\/div>","protected":false},"featured_media":0,"parent":0,"template":"","news-cat":[45],"class_list":["post-2970","news","type-news","status-publish","hentry","news-cat-system","ja"],"acf":[],"_links":{"self":[{"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/news\/2970","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/news"}],"about":[{"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/types\/news"}],"version-history":[{"count":15,"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/news\/2970\/revisions"}],"predecessor-version":[{"id":2985,"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/news\/2970\/revisions\/2985"}],"wp:attachment":[{"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/media?parent=2970"}],"wp:term":[{"taxonomy":"news-cat","embeddable":true,"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/news-cat?post=2970"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}