{"id":6116,"date":"2024-04-25T14:09:53","date_gmt":"2024-04-25T05:09:53","guid":{"rendered":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/?page_id=6116"},"modified":"2024-04-25T15:06:54","modified_gmt":"2024-04-25T06:06:54","slug":"salmon-guide","status":"publish","type":"page","link":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/system\/salmon-guide","title":{"rendered":"SALMON"},"content":{"rendered":"

SALMON<\/h2>\r\n

\u6642\u9593\u4f9d\u5b58\u5bc6\u5ea6\u6c4e\u95a2\u6570\u7406\u8ad6\u306b\u57fa\u3065\u304f\u5b9f\u6642\u9593\u30fb\u5b9f\u7a7a\u9593\u30b0\u30ea\u30c3\u30c9\u6cd5\u3092\u7528\u3044\u305f\u3001\u5149\u52b1\u8d77\u96fb\u5b50\u30c0\u30a4\u30ca\u30df\u30af\u30b9\u30b7\u30df\u30e5\u30ec\u30fc\u30bf\u3002\u7dda\u5f62\u5149\u5fdc\u7b54\u3001\u30d1\u30eb\u30b9\u5149\u306b\u3088\u308b\u975e\u7dda\u5f62\u5149\u5fdc\u7b54\u3092\u3001\u5b64\u7acb\u7cfb\u3001\u5468\u671f\u7cfb\u3001\u754c\u9762\u30fb\u8868\u9762\u7b49\u3001\u69d8\u3005\u306a\u7269\u8cea\u7cfb\u306b\u304a\u3044\u3066\u8a08\u7b97\u304c\u3067\u304d\u308b\u3002\u6570\u5343\u539f\u5b50\u304b\u3089\u306a\u308b\u8d85\u4e26\u5217\u5927\u898f\u6a21\u8a08\u7b97\u3084\u96fb\u5b50\u30fb\u96fb\u78c1\u5834\u7d50\u5408\u30c0\u30a4\u30ca\u30df\u30af\u30b9\u306e\u30de\u30eb\u30c1\u30b9\u30b1\u30fc\u30eb\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306e\u8a08\u7b97\u3082\u53ef\u80fd\u3002<\/span><\/p>\r\n

\u53c2\u8003\u6587\u732e<\/span><\/h3>\r\n

Official home Page:\u00a0<\/span>https:\/\/salmon-tddft.jp\/jp\/index.html<\/a>
\r\nOfficial Document:\u00a0<\/span>https:\/\/salmon-tddft.jp\/jp\/documents.html<\/a>
\r\nLAMMPS on MateriApps:\u00a0<\/span>https:\/\/ma.issp.u-tokyo.ac.jp\/app\/321<\/a><\/p>\r\n

\u63d0\u4f9b\u30d0\u30fc\u30b8\u30e7\u30f3 (2024-04-25)<\/span><\/h3>\r\n

SALMON \u672c\u4f53<\/span>
\r\nv2.2.0<\/span><\/p>\r\n

\u7269\u6027\u7814\u30b9\u30d1\u30b3\u30f3\u3067\u306e\u5229\u7528\u65b9\u6cd5<\/span><\/h3>\r\n

\u4ee5\u4e0b\u3001 $MA_ROOT<\/code> \u306f\u6b21\u306e\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u306b\u7f6e\u304d\u63db\u3048\u3066\u304f\u3060\u3055\u3044\u3002<\/p>\r\n

System B: \/home\/issp\/materiapps\/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5<\/code>
\r\nSystem C: \/home\/issp\/materiapps\/PrgEnv-intel_8.3.3<\/code><\/p>\r\n

\u74b0\u5883\u8a2d\u5b9a<\/span><\/h4>\r\n

SALMON \u306f<\/p>\r\n

\r\n
$MA_ROOT\/salmon\/<\/code><\/pre>\r\n<\/div>\r\n
\u4ee5\u4e0b\u306b\u30d0\u30fc\u30b8\u30e7\u30f3\u3054\u3068\u306b\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u3057\u3066\u3042\u308a\u307e\u3059\u3002<\/p>\r\n
\r\n
$ source $MA_ROOT\/salmon\/salmonvars.sh<\/span><\/code><\/pre>\r\n<\/div>\r\n
\u3068\u3057\u3066\u8a2d\u5b9a\u30d5\u30a1\u30a4\u30eb\u3092\u8aad\u307f\u8fbc\u3080\u3068\u3001\u6700\u65b0\u306e\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u6e08\u307f\u30d0\u30fc\u30b8\u30e7\u30f3\u306e\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u304c\u74b0\u5883\u5909\u6570 SALMON_ROOT<\/code> \u306b\u8a2d\u5b9a\u3055\u308c\u3001 \u5b9f\u884c\u30d0\u30a4\u30ca\u30ea\u306e\u3042\u308b\u30c7\u30a3\u30ec\u30af\u30c8\u30ea $SALMON_ROOT\/bin<\/code> \u304cPATH \u306b\u8ffd\u52a0\u3055\u308c\u307e\u3059\u3002 \u544a\u77e5\u306a\u304f\u30d0\u30fc\u30b8\u30e7\u30f3\u304c\u66f4\u65b0\u3055\u308c\u308b\u3053\u3068\u304c\u3042\u308a\u307e\u3059\u3002 \u30d0\u30fc\u30b8\u30e7\u30f3\u3092\u56fa\u5b9a\u3057\u305f\u3044\u5834\u5408\u306f\u3001\u305d\u308c\u305e\u308c\u306e\u30d0\u30fc\u30b8\u30e7\u30f3\u540d\u306e\u3064\u3044\u305f\u8a2d\u5b9a\u30d5\u30a1\u30a4\u30eb\u3092source<\/code>\u3057\u3066\u304f\u3060\u3055\u3044\u3002<\/span><\/p>\r\n
\u5b9f\u884c\u30d0\u30a4\u30ca\u30ea<\/span><\/h4>\r\n
\u5b9f\u884c\u30d0\u30a4\u30ca\u30ea\u540d\u306f salmon<\/code> \u3067\u3059\u3002 \u5b9f\u884c\u306b\u306f\u305f\u3068\u30481\u30d7\u30ed\u30bb\u30b9\u3067\u3042\u3063\u3066\u3082 srun<\/code> (ohtaka) \u304a\u3088\u3073 mpiexec<\/code> (kugui) \u304c\u5fc5\u8981\u3068\u306a\u308a\u307e\u3059\u3002<\/span><\/p>\r\n
\u30b5\u30f3\u30d7\u30eb\u30b9\u30af\u30ea\u30d7\u30c8\u3068\u5165\u529b\u30d5\u30a1\u30a4\u30eb\u306e\u5834\u6240<\/span><\/h4>\r\n
\r\n
$SALMON_ROOT\/samples<\/span><\/code><\/pre>\r\n<\/div>\r\n
\u306bSALMON\u516c\u5f0f\u306e\u30b5\u30f3\u30d7\u30eb\u96c6\u304c\u3042\u308a\u307e\u3059\u3002\u3054\u81ea\u8eab\u306e\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u306b\u30b3\u30d4\u30fc\u3057\u3066\u304a\u4f7f\u3044\u304f\u3060\u3055\u3044\u3002<\/span><\/p>\r\n
\r\n
$ cp -r $SALMON_ROOT\/samples .<\/span><\/code><\/pre>\r\n<\/div>\r\n
\u30b8\u30e7\u30d6\u306e\u5b9f\u884c\u65b9\u6cd5<\/span><\/h4>\r\n
\r\n
$MA_ROOT\/salmon\/sample_jobscript\/<\/code><\/pre>\r\n<\/div>\r\n
\u306b\u30b9\u30af\u30ea\u30d7\u30c8\u306e\u30b5\u30f3\u30d7\u30eb salmon.sh<\/code> \u304c\u7528\u610f\u3055\u308c\u3066\u3044\u308b\u306e\u3067\u3001\u30ab\u30ec\u30f3\u30c8\u30d5\u30a9\u30eb\u30c0\u306b\u30b3\u30d4\u30fc\u3057\u307e\u3059\u3002 salmon.sh<\/code> \u3067\u5b9f\u884c\u90e8\u5206\u306b\u8a18\u8f09\u3055\u308c\u3066\u3044\u308b\u5165\u529b\u30d5\u30a1\u30a4\u30eb\u540d C2H2_gs.inp<\/code> \u3092\u9069\u5207\u306a\u3082\u306e\u306b\u5909\u66f4\u3057\u305f\u4e0a\u3067\u30b8\u30e7\u30d6\u3092\u6295\u5165\u3057\u307e\u3059\u3002<\/span><\/p>\r\n
\r\n
$ cp $MA_ROOT\/salmon\/sample_jobscript\/salmon.sh .\r\n\r\n# System B\r\n$ sbatch salmon.sh\r\n# System C\r\n$ qsub salmon.sh<\/code><\/pre>\r\n<\/div>","protected":false},"excerpt":{"rendered":"SALMON \u6642\u9593\u4f9d\u5b58\u5bc6\u5ea6\u6c4e\u95a2\u6570\u7406\u8ad6\u306b\u57fa\u3065\u304f\u5b9f\u6642\u9593\u30fb\u5b9f\u7a7a\u9593\u30b0\u30ea\u30c3\u30c9\u6cd5\u3092\u7528\u3044\u305f\u3001\u5149\u52b1\u8d77\u96fb\u5b50\u30c0\u30a4\u30ca\u30df\u30af\u30b9\u30b7\u30df\u30e5\u30ec\u30fc\u30bf\u3002\u7dda\u5f62\u5149\u5fdc\u7b54\u3001\u30d1\u30eb\u30b9\u5149\u306b\u3088\u308b\u975e\u7dda\u5f62\u5149\u5fdc\u7b54\u3092\u3001\u5b64\u7acb\u7cfb\u3001\u5468\u671f\u7cfb\u3001\u754c\u9762\u30fb\u8868\u9762\u7b49\u3001\u69d8\u3005\u306a\u7269\u8cea\u7cfb\u306b\u304a\u3044\u3066\u8a08\u7b97\u304c\u3067\u304d\u308b\u3002 […]","protected":false},"author":19,"featured_media":0,"parent":12,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_acf_changed":false,"_locale":"ja","_original_post":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/?page_id=6116","footnotes":""},"class_list":["post-6116","page","type-page","status-publish","hentry","ja"],"acf":[],"_links":{"self":[{"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/pages\/6116","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/users\/19"}],"replies":[{"embeddable":true,"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/comments?post=6116"}],"version-history":[{"count":2,"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/pages\/6116\/revisions"}],"predecessor-version":[{"id":6121,"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/pages\/6116\/revisions\/6121"}],"up":[{"embeddable":true,"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/pages\/12"}],"wp:attachment":[{"href":"https:\/\/mdcl.issp.u-tokyo.ac.jp\/scc\/wp-json\/wp\/v2\/media?parent=6116"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}