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MateriApps LIVE! の設定 Slide 1 MateriApps LIVE! の設定 Slide 2 MateriApps LIVE! の設定 Slide 3 MateriApps LIVE! の設定 Slide 4 MateriApps LIVE! の設定 Slide 5 MateriApps LIVE! の設定 Slide 6 MateriApps LIVE! の設定 Slide 7 MateriApps LIVE! の設定 Slide 8 MateriApps LIVE! の設定 Slide 9 MateriApps LIVE! の設定 Slide 10 MateriApps LIVE! の設定 Slide 11 MateriApps LIVE! の設定 Slide 12 MateriApps LIVE! の設定 Slide 13 MateriApps LIVE! の設定 Slide 14 MateriApps LIVE! の設定 Slide 15 MateriApps LIVE! の設定 Slide 16 MateriApps LIVE! の設定 Slide 17
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MateriApps LIVE! の設定

  1. 1. MateriApps LIVE! ։ൃνʔϜ MateriApps LIVE! ͷઃఆ 2021/05/18 [for version 3.3]
  2. 2. MateriApps — ෺࣭ՊֶγϛϡϨʔγϣϯͷϙʔλϧαΠτ • ެ։ιϑτ΢ΣΞ(ΞϓϦέʔγϣϯ)Λ֩ͱͨ͠ίϛϡχςΟʔ‫ܗ‬੒ΛΊͯ͟͠ .BUFSJ"QQT MMSJHIUTSFTFSWFE 2 • 282ͷ෺࣭ՊֶΞϓϦέʔγϣϯ΍ πʔϧΛ঺հ(2021೥5݄‫ )ࡏݱ‬ • ʮ΍Γ͍ͨ͜ͱʯ͔ΒΞϓϦέʔγϣ ϯΛ‫ ࡧݕ‬ • ‫ࡧݕ‬λάɿʮಛ௃ʯʮର৅ʯʮख๏ɾΞ ϧΰϦζϜʯ • ։ൃऀͷ੠Λར༻ऀʹಧ͚Δ • ։ൃऀ৘ใɺΞϓϦͷັྗɾকདྷੑ • ߨशձ৘ใɾwebߨशձɾߋ৽৘ใ • ΩʔϫʔυղઆɺΞϓϦίϯγΣϧ δϡɺϨϏϡʔ‫ ࣄه‬ • ݄ؒ 22,000+ ϖʔδϏϡʔɺ6,700+ Ϣ χʔΫϢʔβ (2020೥౓) 2013೥5݄ެ։
  3. 3. • 282ͷ෺࣭ՊֶΞϓϦέʔγϣϯ΍πʔϧΛ঺հ ີ౓൚ؔ਺๏ LBJ,,3ˑ 0QFO.9ˑ Y511ˑ #*/*5ˑ ྔࢠԽֶ '.0ˑ 4.4)ˑ (.44ˑ %$ˑ ෼ࢠಈྗֶ .0%:-4ˑ (SPNBDTˑ 3NPEˑ .%$1 ֨ࢠ໛‫ܕ‬ -14ˑ %4244 #-0$, %.3(
  4. 4. ˑ ࿈ଓମγϛϡϨʔγϣϯ /4:4.VMUJQIZTJDT 0DUB σʔλղੳ $-61/ˑ QIPOPQZˑ ՄࢹԽ GVˑ 51*0$ˑ ˑ .BUFSJQQT-*7ऩ࿥ Ұ෦༧ఆ ΞϓϦ MateriApps ‫ࡌܝ‬ΞϓϦέʔγϣϯ .BUFSJQQT MMSJHIUTSFTFSWFE 3 (80) (38) (31) (58) (12) (59) (37) σʔλϕʔε(12)ɺ౷߹‫(ڥ؀‬4)ɺ ‫ػ‬ցֶश(20)ɺྔࢠ‫(ࢉܭ‬6)
  5. 5. MateriApps ‫׆‬ಈͷ໨త • ։ൃऀଆ͔Βͷ໰୊఺ • ༗ӹͳϓϩάϥϜ͸΋ͬͱ࢖ΘΕΔ΂͖͕ͩɺଟ͘ͷ ιϑτ͸‫ͯͬ·Ͳͱʹ಺ࣨڀݚ‬ऴΘΔ • ެ։ɾ৘ใൃ৴ʹ͸ख͕͔͔ؒΔ • ΞϓϦ։ൃΛ੒Ռͱͯ͠ओு͠ʹ͍͘(ࢦඪ͕ͳ͍) • ར༻ऀଆ͔Βͷ໰୊఺ • ͲΜͳϓϩάϥϜ͕͋Δͷ͔Α͘Θ͔Βͳ͍ • Πϯετʔϧɾ࢖͍ํʹ͍ͭͯ஌Γ͍ͨ • ։ൃऀͷ‫׆‬ಈ(ಛʹߨशձ৘ใ)Λ΋ͬͱ஌Γ͍ͨ • MateriApps ͷ໨త • ΞϓϦͷ‫͑ݟ‬ΔԽΛ௨ͯ͡։ൃऀͱར༻ऀΛͭͳ͙ίϛϡχςΟʔΛҭͯΔ .BUFSJQQT MMSJHIUTSFTFSWFE 4
  6. 6. ΞϓϦέʔγϣϯී‫ʹٴ‬Ή͚ͨࡾຊப • ΞϓϦͷ৘ใൃ৴ • ϙʔλϧαΠτ MateriApps web • ‫ݸ‬ਓɾ‫ࣨڀݚ‬ϨϕϧͰͷΞϓϦར༻ͷࢧԉ • MateriApps LIVE! • εύίϯ্ͰͷΞϓϦར༻ࢧԉ • ෋ַ΍ࠃ಺ओཁεύίϯ΁ͷΞϓϦͷϓϨΠϯετʔϧ MateriApps Installer • Πϯετʔϧ΍ೖྗϑΝΠϧͷ४උʹ͓͚ΔʮนʯΛղফ • ‫ࢉܭ‬Պֶͷઐ໳Ո͚ͩͰ͸ͳ͘ɺ࣮‫ݧ‬Ո΍‫಺ۀا‬ͷར༻ɺ‫ڭ‬ҭ‫׆‬ಈʹ͓͚Δ‫΁༻׆‬ .BUFSJQQT MMSJHIUTSFTFSWFE 5 Flagship system (K, post-K,...) HPC infrastructure supercomputers in Japan Supercomputers for shared-use in research fields Cloud computing, on-premises PC clusters Personal workstations, PCs Installer Hands-on Cloud
  7. 7. MateriApps LIVE! ͱ͸ʁ • Ծ૝Ϛγϯ্Ͱ௚઀ϒʔτͰ͖Δ Live Linux • WindowsɺMac ͳͲͰར༻Մ • Πϯετʔϧ࡞‫Ͱ͠ͳۀ‬෺࣭ՊֶΞϓϦΛ࣮ߦͰ͖Δ • όʔδϣϯ3.3ެ։ (2021೥5݄) • MateriAppsͰ঺հ͍ͯ͠Δެ։ΞϓϦɾπʔϧΛऩ࿥ • abinit, AkaiKKR, ALAMODE, ALPS, CONQUEST,
 Feram, DCore, DSQSS, HΦ, LAMMPS, mVMC, OCTA, OpenMX, Quantum ESPRESSO, PHYSBO, SMASH, TeNeS, xTAPP ౳ • OVITO, ParaView, Tapioca, VESTA, VMD, XCrysDen… • CASINO, GAMESS, VMD͸ࣗಈΠϯετʔϥʔ͋Γ • MateriApps LIVE! αΠτ͔Βμ΢ϯϩʔυՄೳ • 2013೥7݄Ҏདྷɺ12,000+ίϐʔΛ഑෍ .BUFSJQQT MMSJHIUTSFTFSWFE 6
  8. 8. MateriApps LIVE! ͕໾ʹཱͭγνϡΤʔγϣϯ • MateriApps LIVE! Λ༻͍ͨߨशձ • MateriApps LIVE! ϋϯζΦϯ • HΦɺxTAPPɺALPSɺDCoreɺmVMCɺALAMODEɺDDMRGɺDSQSSɺ SALMONɺCASINOɺTeNeSଞ • ߨٛͰͷར༻ྫ (౦େɺ౦޻େɺଞ) • ‫ࢉܭ‬෺ཧֶɺ‫ࢉܭ‬Պֶ֓࿦ • ‫ݧ࣮ػࢉܭ‬ (UNIX + C ࣮श‫ڥ؀‬ɺLaTeXɺόʔδϣϯ؅ཧγεςϜ) • ࣮‫ऀڀݚݧ‬ɾ‫ʹऀڀݚۀا‬ΑΔར༻ • ‫ػࢉܭ‬Պֶͷ‫ʹऀڀݚ‬ΑΔར༻ • ࠷ۙͰ͸τϥϒϧ͸΄΅θϩɻ15෼ఔ౓ͰηοτΞοϓ‫ ྃ׬‬ • ༰қʹ‫ڥ؀‬Λἧ͑Δ͜ͱ͕Ͱ͖ΔͷͰɺಈ࡞֬ೝɾτϥϒϧγϡʔςΟϯάɾϢʔ βαϙʔτʹศར .BUFSJQQT MMSJHIUTSFTFSWFE 7
  9. 9. MateriApps LIVE! ʹΑΔ෺࣭ՊֶγϛϡϨʔγϣϯ • ΠϯτϩμΫγϣϯ / ४උ • ୈҰ‫ݪ‬ཧ‫ࢉܭ‬ख๏ʹΑΔόϯυ‫ࢉܭ‬ (OpenMX / Quantum ESPRESSO / xTAPP) • ෼ࢠಈྗֶ๏ʹΑΔ༹ӷͷγϛϡϨʔγϣϯ (LAMMPS / Gromacs) • ֨ࢠ໛‫ܕ‬γϛϡϨʔγϣϯ (ALPS / HΦ / mVMC) • ྔࢠԽֶ‫ࢉܭ‬ (४උத) • https://github.com/cmsi/MateriAppsLive/wiki/MaLiveTutorial ʹϦϯΫूΛ੔උத .BUFSJQQT MMSJHIUTSFTFSWFE 8
  10. 10. ΋ͬͱେ‫ن‬໛ͳ‫ࢉܭ‬Λ͍ͨ͠ʁ • Debian ΍ Ubuntu ͕Πϯετʔϧ͞Εͨ Linux ϫʔΫεςʔγϣϯ • MateriApps LIVE! ͷ Debian Package ͕ར༻Մೳ • https://github.com/cmsi/MateriAppsLive/wiki/UsingMateriAppsInDebian • (Google Colabʹ΋ΠϯετʔϧՄ) • PCΫϥελɺΫϥ΢υɺ෺ੑ‫ݚ‬΍৘ใ‫ج‬൫ηϯλʔͷεύίϯɺ෋ַͳͲ • MateriApps Installer Λར༻ https://ma.issp.u-tokyo.ac.jp/app/268 • 2020೥౓ ౦େ෺ੑ‫ݚ‬ιϑτ΢ΣΞ։ൃɾߴ౓ԽϓϩδΣΫτͱͯ͠ɺϦ χϡʔΞϧ .BUFSJQQT MMSJHIUTSFTFSWFE 9 Flagship system (K, post-K,...) HPC infrastructure supercomputers in Japan Supercomputers for shared-use in research fields Cloud computing, on-premises PC clusters Personal workstations, PCs Installer Hands-on Cloud
  11. 11. • MateriApps LIVE! USB • setup.pdf, setup-en.pdf
 ͜ͷυΩϡϝϯτ • README.html, README-en.html
 (https://github.com/cmsi/MateriAppsLive/wiki/MateriAppsLive-ova ͱಉ͡΋ͷ) • VirtualBox Πϯετʔϥ: VirtualBox-*-OSX.dmg, VirtualBox-*-Win.exe
 (https://www.virtualbox.org/wiki/Downloads ͔Βμ΢ϯϩʔυՄ) • MateriApps LIVE! VitualBox σΟεΫΠϝʔδ: MateriAppsLive-*-amd64.ova
 (http://sourceforge.net/projects/materiappslive/ fi les/ ͔Βμ΢ϯϩʔυՄ) MateriApps LIVE! ഑෍෺ .BUFSJQQT MMSJHIUTSFTFSWFE 10
  12. 12. ͋͞ɺ͸͡Ί·͠ΐ͏ ✓ USB ϝϞϦͷϑΝΠϧΛϋʔυσΟεΫʹίϐʔ • ͢΂ͯͷϑΝΠϧΛύιίϯ(σεΫτοϓ౳)ʹίϐʔ͍ͯͩ͘͠͞ ✓ ΠϯετʔϥΛμϒϧΫϦοΫͯ͠ VirtualBox ΛΠϯετʔϧ • Windows൛: VirutalBox-*-Win.exe • Mac൛: VirtualBox-*-OSX.dmg ✓ MateriApps LIVE! ͷΠϯϙʔτ • MateriAppsLive-*.ova ΛμϒϧΫϦοΫ • VirtualBox ͕‫ى‬ಈͯ͠Πϯϙʔτը໘͕։͘ͷͰʮΠϯϙʔτʯϘλϯΛԡ͢ • 2ʙ3෼͔͔Δ͕‫ྃ͢׬‬ΔͱϚωʔδϟʔ͕‫ى‬ಈ • ϗετ (ϗετOS) : ΋ͱ΋ͱಈ͍͍ͯΔ OS (WindowsɺMac OS X ͳͲ)ͷ͜ͱ • Ծ૝Ϛγϯ (ήετOS) : VirtualBox ͷதͰಈ͍͍ͯΔ OS (= MateriApps LIVE!) .BUFSJQQT MMSJHIUTSFTFSWFE 11
  13. 13. VirtualBox ͔Βͷ‫ى‬ಈ 1. ʮMateriAppsLive…ʯΛબ୒ 2. ‫ى‬ಈϘλϯΛԡ͢ 3. ϩάΠϯը໘͕ͰΔ·Ͱͦͷ ··଴ͭ .BUFSJQQT MMSJHIUTSFTFSWFE 12
  14. 14. MateriApps LIVE! ΁ͷϩάΠϯ • Լ‫ه‬ͷ৘ใΛ࢖ͬͯϩάΠϯ • Ϣʔβ໊ (login): user • ύεϫʔυ (password): live • ӈͷσεΫτοϓը໘͕ग़Ε͹੒ޭ • ελʔτϝχϡʔ • λʔϛφϧͷ։͖ํ
 ʮελʔτϝχϡʔʯ㱺ʮSystem Toolsʯ㱺ʮLXTerminalʯ • Ծ૝Ϛγϯͷऴྃ (γϟοτμ΢ϯ)
 ʮελʔτϝχϡʔʯ㱺ʮLogoutʯˠʮShutdownʯ .BUFSJQQT MMSJHIUTSFTFSWFE 13 CD-ROMϘλϯ
  15. 15. ௥Ճͷઃఆ (1/2) ✓ ΩʔϘʔυ: ೔ຊ‫ޠ‬ΩʔϘʔυ(ʮˏʯ͕ʮPʯͷӈʹ͋Δ)Λ࢖͍ͬͯΔ৔߹ • ʮελʔτϝχϡʔʯ㱺ʮSystem Toolsʯ㱺ʮSwitch to Japanese Keyboard Layoutʯ • ʮˏʯ͕ਖ਼͘͠ೖྗͰ͖Δ͜ͱΛ֬ೝ ✓ Ծ૝Ϛγϯ΢Πϯυ΢ͷղ૾౓ɾεέʔϧͷมߋ • ղ૾౓ (ըૉ਺): σϑΥϧτͰ͸ʮ800 x 600ʯ • εέʔϧ(ըૉີ౓): σϑΥϧτͰ͸ʮ200%ʯ • ղ૾౓ͱεέʔϧ͸ϗετOSͷʮϏϡʔʯϝχϡʔ 㱺ʮԾ૝εΫϦʔϯ 1ʯ ͔ΒมߋͰ͖Δ • VESTA, OVITO, ParaViewͳͲͷՄࢹԽιϑτΛ࢖͏৔߹͸ղ૾౓Λʮ1024 x 768ʯҎ্ʹઃఆ͢ΔͱΑ͍ • จࣈ͕খͯ͘͞‫͍͘ʹݟ‬৔߹ʹ͸εέʔϧΛେ͖͘͢Δ .BUFSJQQT MMSJHIUTSFTFSWFE 14
  16. 16. ௥Ճͷઃఆ (2/2) ✓ ϑΝΠϧ‫ڞ‬༗: ϗετOSͱԾ૝ϚγϯؒͷϑΝΠϧ‫ڞ‬༗ • Ծ૝ϚγϯΛ͍ͬͨΜγϟοτμ΢ϯ • VirtualBox Ϛωʔδϟʔը໘Ͱ MateriAppsLive-* Λબ୒͠ʮઃఆʯ • ʮ‫ڞ‬༗ϑΥϧμʔʯλϒΛ։͖ɺӈଆͷʮ+ʯΛΫϦοΫ • ʮϑΥϧμʔͷύεʯͷӈଆͷʮͅʯϚʔΫΛΫϦοΫ͠ɺʮͦͷଞʯΛબ ୒ɻ‫ڞ‬༗͢ΔϑΥϧμʔΛબ୒ɺʮࣗಈϚ΢ϯτʯΛνΣοΫ͠ʮOKʯ • Ծ૝ϚγϯΛ‫ى‬ಈɻ্Ͱબ୒ͨ͠ϑΥϧμ͕ɺ/media/sf_... ͷԼʹ‫͑ݟ‬Δ ✓ ISOΠϝʔδϑΝΠϧ(*.iso)ͷத਎ΛԾ૝Ϛγϯ͔Βࢀর͢Δ • Ծ૝Ϛγϯ΢Πϯυ΢ͷ࿮ͷԼʹ͋ΔCD-ROMͷΞΠίϯΛΫϦοΫɺ ʮChoose disk image...ʯΛબ୒͠ɺISOΠϝʔδϑΝΠϧΛ։͘ • ISOΠϝʔδϑΝΠϧͷத਎͕ɺ/media/cdrom0 ͷԼʹ‫͑ݟ‬Δ .BUFSJQQT MMSJHIUTSFTFSWFE 15
  17. 17. Tips ✓ ίϐʔ ϖʔετ: ϗετOSͰPDFϑΝΠϧ͔Βίϐʔͨ͠จࣈྻΛɺԾ૝Ϛγ ϯͷλʔϛφϧ౳Ͱϖʔετ͢Δํ๏ • λʔϛφϧ্ͰӈΫϦοΫ 㱺ʮPasteʯ(͋Δ͍͸ʮshift + control + Vʯ) • จࣈྻͷίϐʔ͸ɺӈΫϦοΫ 㱺ʮCopyʯ(͋Δ͍͸ʮshift + control + Cʯ) ✓ ίϚϯυ໊΍ϑΝΠϧ໊ͷิ‫׬‬ɾཤྺɾஞ࣍‫ ࡧݕ‬ • λʔϛφϧೖྗதʹɺ్தͰ tab ΩʔΛୟ͘ͱɺίϚϯυ໊΍ϑΝΠϧ໊Λ ิ‫͢׬‬Δ͜ͱ͕Ͱ͖Δ • λʔϛφϧͰʮˢʯΩʔΛୟ͘ͱɺ͜Ε·Ͱʹ࣮ߦͨ͠ίϚϯυཤྺΛḪΔ ͜ͱ͕Ͱ͖Δ • λʔϛφϧͰʮhistoryʯίϚϯυΛ࣮ߦ͢Δͱɺ͜Ε·Ͱʹ࣮ߦͨ͠ίϚϯ υҰཡ͕දࣔ͞ΕΔ • λʔϛφϧͰʮCtrl + rʯΛୟ͘ͱɺ͜Ε·Ͱʹ࣮ߦͨ͠ίϚϯυΛ‫ٯ‬ஞ࣍‫ݕ‬ ࡧ (reverse incremental search Ͱ͖Δ) .BUFSJQQT MMSJHIUTSFTFSWFE 16
  18. 18. MateriApps ‫ا‬ըɾ੍࡞ • ӡӦ: • ౦‫ژ‬େֶ෺ੑ‫ࢉܭॴڀݚ‬෺࣭Պֶ‫ڀݚ‬ηϯλʔ (ISSP-CCMS) • MateriApps ։ൃνʔϜ • Ҫ‫߁ށ‬ଠ (ISSP)ɺּদलี (ࢁ‫ܗ‬େཧ)ɺՃ౻ַੜ (ISSP)ɺ઒ౡ௚ً (ISSP)ɺ ‫ݹ‬Ӊాޫ (ISSP)ɺ౻ಊᚸ࣏ (౦େཧ/ISSP)ɺ෱ాকେ (ISSP)ɺ٢ᖒ߳ಸࢠ (RIST) • (ҕୗ) খ੢༏༞ɺࢁా‫ޒ‬ଠ • ‫ྗڠ‬: • ߴ౓৘ใՊֶٕज़‫ߏػڀݚ‬ (RIST) • εϙϯαʔ • ‫ݩ‬ૉઓུϓϩδΣΫτʻ‫ܗ఺ڌ‬੒‫ܕ‬ʼ • ʮ෋ַʯ੒Ռ૑ग़Ճ଎ϓϩάϥϜʮେ‫ن‬໛‫ͱࢉܭ‬ デ ʔλ‫ۦ‬ಈख๏ʹΑΔߴੑೳӬ‫ٱ‬ ࣓ੴͷ։ൃʯ .BUFSJQQT MMSJHIUTSFTFSWFE 17

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