MateriApps LIVE!の設定

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1. MateriApps LIVE! ։ൃνʔϜ MateriApps LIVE! ͷઃఆ 2022/09/19 [for version 4.0]
2. MateriApps — ෺࣭ՊֶγϛϡϨʔγϣϯͷϙʔλϧαΠτ • ެ։ιϑτ΢ΣΞ(ΞϓϦέʔγϣϯ)Λ֩ͱͨ͠ίϛϡχςΟʔܗ੒ΛΊͯ͟͠ .BUFSJ"QQT
   
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   SFTFSWFE 2 • 293ͷ෺࣭ՊֶΞϓϦέʔγϣϯ΍ πʔϧΛ঺հ(2022೥9݄ݱࡏ) • ʮ΍Γ͍ͨ͜ͱʯ͔ΒΞϓϦέʔγϣ ϯΛݕࡧ • ݕࡧλάɿʮಛ௃ʯʮର৅ʯʮख๏ɾΞ ϧΰϦζϜʯ • ։ൃऀͷ੠Λར༻ऀʹಧ͚Δ • ։ൃऀ৘ใɺΞϓϦͷັྗɾকདྷੑ • ߨशձ৘ใɾwebߨशձɾߋ৽৘ใ • ΩʔϫʔυղઆɺΞϓϦίϯγΣϧ δϡɺϨϏϡʔهࣄ • ݄ؒ 22,000+ ϖʔδϏϡʔɺ6,000+ Ϣ χʔΫϢʔβ (2021೥౓) 2013೥5݄ެ։
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   ऩ࿥ Ұ෦༧ఆ ΞϓϦ MateriApps ܝࡌΞϓϦέʔγϣϯ .BUFSJ"QQT
   
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   SFTFSWFE 3 (82) (39) (31) (64) (13) (59) (40) σʔλϕʔε(13)ɺ౷߹؀ڥ(4)ɺ ػցֶश(31)ɺྔࢠܭࢉ(8)
4. MateriApps ׆ಈͷ໨త • ։ൃऀଆ͔Βͷ໰୊఺ • ༗ӹͳϓϩάϥϜ͸΋ͬͱ࢖ΘΕΔ΂͖͕ͩɺଟ͘ͷ ιϑτ͸ݚڀࣨ಺ʹͱͲ·ͬͯऴΘΔ • ެ։ɾ৘ใൃ৴ʹ͸ख͕͔͔ؒΔ • ΞϓϦ։ൃΛ੒Ռͱͯ͠ओு͠ʹ͍͘(ࢦඪ͕ͳ͍) • ར༻ऀଆ͔Βͷ໰୊఺ • ͲΜͳϓϩάϥϜ͕͋Δͷ͔Α͘Θ͔Βͳ͍ • Πϯετʔϧɾ࢖͍ํʹ͍ͭͯ஌Γ͍ͨ • ։ൃऀͷ׆ಈ(ಛʹߨशձ৘ใ)Λ΋ͬͱ஌Γ͍ͨ • MateriApps ͷ໨త • ΞϓϦͷݟ͑ΔԽΛ௨ͯ͡։ൃऀͱར༻ऀΛͭͳ͙ίϛϡχςΟʔΛҭͯΔ .BUFSJ"QQT
   
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5. ΞϓϦέʔγϣϯීٴʹΉ͚ͨࡾຊப • ΞϓϦͷ৘ใൃ৴ • ϙʔλϧαΠτ MateriApps web • ݸਓɾݚڀࣨϨϕϧͰͷΞϓϦར༻ͷࢧԉ • MateriApps LIVE! • εύίϯ্ͰͷΞϓϦར༻ࢧԉ • ෋ַ΍ࠃ಺ओཁεύίϯ΁ͷΞϓϦͷϓϨΠϯετʔϧ MateriApps Installer • Πϯετʔϧ΍ೖྗϑΝΠϧͷ४උʹ͓͚ΔʮนʯΛղফ • ܭࢉՊֶͷઐ໳Ո͚ͩͰ͸ͳ͘ɺ࣮ݧՈ΍اۀ಺ͷར༻ɺڭҭ׆ಈʹ͓͚Δ׆༻΁ .BUFSJ"QQT
   
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   SFTFSWFE 5 Personal computers Computer clusters HPC Supercomputers Flagship machines (a) (b) 3rd step: Install the software Collection of install scripts 1st step: Search software Portal site 2nd step: Try out the software Virtual machine
6. MateriApps LIVE! ͱ͸ʁ • Ծ૝Ϛγϯ(VirtualBox)্Ͱಈ࡞͢ΔDebian Linux • WindowsɺIntel Mac ͳͲͰར༻Մ (Apple Silicon༻ʹDocker൛΋ެ։த) • Πϯετʔϧ࡞ۀͳ͠Ͱ෺࣭ՊֶΞϓϦΛ࣮ߦͰ͖Δ • όʔδϣϯ4.0ެ։ (2022೥9݄) • 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೥7݄Ҏདྷɺ14,000+ίϐʔΛ഑෍ .BUFSJ"QQT
   
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7. MateriApps LIVE! ͕໾ʹཱͭγνϡΤʔγϣϯ • MateriApps LIVE! Λ༻͍ͨߨशձ • MateriApps LIVE! ϋϯζΦϯ • HΦɺxTAPPɺALPSɺDCoreɺmVMCɺALAMODEɺDDMRGɺDSQSSɺ SALMONɺCASINOɺTeNeSଞ • ߨٛͰͷར༻ྫ (౦େɺ౦޻େɺଞ) • ܭࢉ෺ཧֶɺܭࢉՊֶ֓࿦ • ܭࢉػ࣮ݧ (UNIX + C ࣮श؀ڥɺLaTeXɺόʔδϣϯ؅ཧγεςϜ) • ࣮ݧݚڀऀɾاۀݚڀऀʹΑΔར༻ • ܭࢉػՊֶͷݚڀऀʹΑΔར༻ • ࠷ۙͰ͸τϥϒϧ͸΄΅θϩɻ15෼ఔ౓ͰηοτΞοϓ׬ྃ • ༰қʹ؀ڥΛἧ͑Δ͜ͱ͕Ͱ͖ΔͷͰɺಈ࡞֬ೝɾτϥϒϧγϡʔςΟϯάɾϢʔ βαϙʔτʹศར .BUFSJ"QQT
   
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8. MateriApps LIVE! ʹΑΔ෺࣭ՊֶγϛϡϨʔγϣϯ • ΠϯτϩμΫγϣϯ / ४උ • ୈҰݪཧܭࢉख๏ʹΑΔόϯυܭࢉ (OpenMX / Quantum ESPRESSO / xTAPP) • ෼ࢠಈྗֶ๏ʹΑΔ༹ӷͷγϛϡϨʔγϣϯ (LAMMPS / Gromacs) • ֨ࢠ໛ܕγϛϡϨʔγϣϯ (ALPS / HΦ / mVMC) • ྔࢠԽֶܭࢉ (४උத) • https://github.com/cmsi/MateriAppsLive/wiki/MaLiveTutorial ʹϦϯΫूΛ੔උத .BUFSJ"QQT
   
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9. MateriApps LIVE! (Docker൛) • MateriApps LIVE! 4.0 (Docker൛) (2022೥9݄) • VirtualBox൛ʹՃ͑ɺDocker൛΋ಉ࣌ެ։ • VirtualBox͕ಈ͔ͳ͍Apple Silicon (M1/M2)ͷMacΛαϙʔτ • Intel Mac΋αϙʔτ • Intel WindowsͰ΋ಈ࡞͢Δ͸͕ͣͩɺεΫϦϓτະ੔උ • Docker Image͸Docker HubͰެ։ • https://hub.docker.com/r/malive/malive • MateriApps LIVE! (Docker൛)ͷىಈํ๏ • https://github.com/cmsi/MateriAppsLive/wiki/GettingStartedDocker .BUFSJ"QQT
   
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10. ΋ͬͱେن໛ͳܭࢉΛ͍ͨ͠ʁ • 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 .BUFSJ"QQT
    
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    SFTFSWFE 10 Personal computers Computer clusters HPC Supercomputers Flagship machines (a) (b) 3rd step: Install the software Collection of install scripts 1st step: Search software Portal site 2nd step: Try out the software Virtual machine
11. • ഑෍෺Ұࣜ • setup.pdf, setup-en.pdf
 ͜ͷυΩϡϝϯτ • README.html, README-en.html
 (https://github.com/cmsi/MateriAppsLive/wiki/MateriAppsLive-ova) • 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! (VirtualBox൛) .BUFSJ"QQT
    
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12. ͋͞ɺ͸͡Ί·͠ΐ͏ ✓ ഑෍෺ҰࣜΛμ΢ϯϩʔυ ✓ΠϯετʔϥΛμϒϧΫϦοΫͯ͠ VirtualBox ΛΠϯετʔϧ • Windows൛: VirutalBox-*-Win.exe • Mac൛: VirtualBox-*-OSX.dmg ✓ MateriApps LIVE! ͷΠϯϙʔτ • MateriAppsLive-*.ova ΛμϒϧΫϦοΫ • VirtualBox ͕ىಈͯ͠Πϯϙʔτը໘͕։͘ͷͰʮΠϯϙʔτʯϘλϯΛԡ͢ • 2ʙ3෼͔͔Δ͕׬ྃ͢ΔͱϚωʔδϟʔ͕ىಈ • ϗετ (ϗετOS) : ΋ͱ΋ͱಈ͍͍ͯΔ OS (WindowsɺMac OS X ͳͲ)ͷ͜ͱ • Ծ૝Ϛγϯ (ήετOS) : VirtualBox ͷதͰಈ͍͍ͯΔ OS (= MateriApps LIVE!) .BUFSJ"QQT
    
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13. VirtualBox ͔Βͷىಈ 1. ʮMateriAppsLive…ʯΛબ୒ 2. ىಈϘλϯΛԡ͢ 3. ϩάΠϯը໘͕ͰΔ·Ͱͦͷ ··଴ͭ .BUFSJ"QQT
    
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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 .BUFSJ"QQT
    
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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 • จࣈ͕খͯ͘͞ݟʹ͍͘৔߹ʹ͸εέʔϧΛେ͖͘͢Δ .BUFSJ"QQT
    
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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_... ͷԼʹݟ͑Δ ✓ ίϐʔ & ϖʔετ: ϗετOSͰPDFϑΝΠϧ͔Βίϐʔͨ͠จࣈྻΛɺԾ૝Ϛγ ϯͷλʔϛφϧ౳Ͱϖʔετ͢Δํ๏ • λʔϛφϧ্ͰӈΫϦοΫ 㱺ʮPasteʯ(͋Δ͍͸ʮshift + control + Vʯ) • จࣈྻͷίϐʔ͸ɺӈΫϦοΫ 㱺ʮCopyʯ(͋Δ͍͸ʮshift + control + Cʯ) .BUFSJ"QQT
    
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17. MateriApps اըɾ੍࡞ • ӡӦ: • ౦ژେֶ෺ੑݚڀॴܭࢉ෺࣭Պֶݚڀηϯλʔ (ISSP-CCMS) • MateriApps ։ൃνʔϜ • Ҫށ߁ଠ (ISSP)ɺּদलี (ࢁܗେཧ)ɺՃ౻ַੜ (ISSP)ɺ઒ౡ௚ً (ISSP)ɺݹӉాޫ (ISSP)ɺ౻ಊᚸ࣏ (౦େཧ/ISSP)ɺ෱ాকେ (ISSP)ɺ٢ᖒ߳ಸࢠ (RIST)ɺࢁ࡚ ३ (ISSP) • (ҕୗ) ΞΧσϝΠΞ(খ੢༏༞ɺ໺ాਅ࢙ɺࢁాޒଠ) • ڠྗ: • ߴ౓৘ใՊֶٕज़ݚڀػߏ (RIST) • εϙϯαʔ • HPCIઓུϓϩάϥϜɾ෼໺2 ৽෺࣭ɾΤωϧΪʔ૑੒ʢ2013-2015ʣ • ݩૉઓུϓϩδΣΫτʻڌ఺ܗ੒ܕʼʢ2013-2021ʣ • ϙετʮژʯॏ఺՝୊7 ࣍ੈ୅ͷ࢈ۀΛࢧ͑Δ৽ػೳσόΠεɾߴੑೳࡐྉͷ૑੒ ʢ2016-2019ʣ • ʮ෋ַʯ੒Ռ૑ग़Ճ଎ϓϩάϥϜ େن໛ܭࢉͱ デ ʔλۦಈख๏ʹΑΔߴੑೳӬٱ࣓ੴ ͷ։ൃʢ2020-ʣ .BUFSJ"QQT
    
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