MateriApps LIVE!の設定

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1. MateriApps LIVE! ։ൃνʔϜ MateriApps LIVE! ͷઃఆ 2025/02/26 [for version 5.0]
2. MateriApps — ෺࣭ՊֶγϛϡϨʔγϣϯͷϙʔλϧαΠτ • ެ։ιϑτ΢ΣΞ(ΞϓϦέʔγϣϯ)Λ֩ͱͨ͠ίϛϡχςΟʔܗ੒ΛΊͯ͟͠ .BUFSJ"QQT
   
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   SFTFSWFE 2 • 320Ҏ্ͷ෺࣭ՊֶΞϓϦέʔγϣϯ ΍πʔϧΛ঺հ • ʮ΍Γ͍ͨ͜ͱʯ͔ΒΞϓϦέʔγϣ ϯΛݕࡧ • ݕࡧλάɿʮಛ௃ʯʮର৅ʯʮख๏ɾΞ ϧΰϦζϜʯ • ։ൃऀͷ੠Λར༻ऀʹಧ͚Δ • ։ൃऀ৘ใɺΞϓϦͷັྗɾকདྷੑ • ߨशձ৘ใɾwebߨशձɾߋ৽৘ใ • ΩʔϫʔυղઆɺΞϓϦίϯγΣϧ δϡɺϨϏϡʔهࣄ • ݄ؒ 17,000+ ϖʔδϏϡʔɺ6,500+ Ϣ χʔΫϢʔβ (2023೥౓࣮੷) 2013೥5݄ެ։
3. • 320Ҏ্ͷ෺࣭ՊֶΞϓϦέʔγϣϯ΍πʔϧΛ঺հ ີ౓൚ؔ਺๏ "LBJ,,3ˑ 0QFO.9ˑ Y5"11ˑ "#*/*5ˑ  ྔࢠԽֶ '.0ˑ 4."4)ˑ (".&44ˑ %$ˑ  ෼ࢠಈྗֶ .0%:-"4ˑ (SPNBDTˑ &3NPEˑ .%"$1  ֨ࢠ໛ܕ "-14ˑ %4244 #-0$, %.3(  ˑ ࿈ଓମγϛϡϨʔγϣϯ "/4:4
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   ऩ࿥ Ұ෦༧ఆ ΞϓϦ MateriApps ܝࡌΞϓϦέʔγϣϯ .BUFSJ"QQT
   
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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 (https://ma.issp.u-tokyo.ac.jp) • 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/Docker)্Ͱಈ࡞͢ΔDebian Linux • Windows, Mac (Intel/Apple Silicon)Ͱར༻Մ • Πϯετʔϧ࡞ۀͳ͠Ͱ෺࣭ՊֶΞϓϦΛ࣮ߦͰ͖Δ • όʔδϣϯ5.0ެ։ (2025೥2݄) • MateriAppsͰ঺հ͍ͯ͠Δެ։ΞϓϦɾπʔϧΛऩ࿥ • abinit, AkaiKKR, ALAMODE, ALPS, CONQUEST,
 Feram, DCore, DSQSS, HΦ, LAMMPS, ɹɹɹɹɹɹɹɹɹɹɹɹɹɹɹ mVMC, OCTA, OpenMX, Quantum ESPRESSO,ɹɹɹɹɹɹɹɹɹɹɹɹɹɹɹɹɹ PHYSBO, SMASH, TeNeS, xTAPP ౳ • OVITO, ParaView, Tapioca, VESTA, XCrysDen… • CASINO, GAMESS, VMD༻Πϯετʔϥʔ • MateriApps LIVE! αΠτ͔Βμ΢ϯϩʔυՄೳ • 2013೥7݄Ҏདྷɺ15,000+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. ΋ͬ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 9 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
10. • VirtualBox ൛ • ར఺ • Ծ૝Ϛγϯ্Ͱଟ͘ͷՄࢹԽπʔϧ(Ovito, Paraview, Vesta ͳͲ)͕ಈ͘ • ஫: Vesta ͸ Windows, macOS Intel ͰͷΈಈ࡞ • ܽ఺ • ϝϞϦ࢖༻ྔ͕ଟ͍ • Docker ൛ • ར఺ • 2౓໨Ҏ߱ͷىಈ͕ߴ଎ • ϝϞϦ࢖༻ྔ͕গͳ͍ • ܽ఺ • ՄࢹԽπʔϧͷ͏ͪಈ࡞͠ͳ͍΋ͷ͕͋Δ VirtualBox ൛ͱ Docker ൛ .BUFSJ"QQT
    
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11. • ϑΝΠϧҰࣜ • setup.pdf (೔ຊޠ), setup-en.pdf (ӳޠ) • ͜ͷυΩϡϝϯτ • https://speakerdeck.com/wistaria/materiapps-live-noshe-ding • README.html, README-en.html • https://github.com/cmsi/MateriAppsLive/wiki/MateriAppsLive-ova • VirtualBox 7.1Πϯετʔϥ: VirtualBox-*-Win.exe (Windows), VirtualBox-*- OSX.dmg (macOS Intel), VirtualBox-*-OSXArm64.dmg (macOS Apple Silicon) • https://www.virtualbox.org/wiki/Downloads ͔Βμ΢ϯϩʔυՄ • MateriApps LIVE! VitualBox σΟεΫΠϝʔδ: MateriAppsLive-*-amd64.ova (Windows / macOS Intel), MateriAppsLive-*-arm64.ova (macOS Apple Silicon) • https://github.com/cmsi/MateriAppsLive/wiki/download ͔Βμ΢ϯϩʔυՄ MateriApps LIVE! (VirtualBox൛) .BUFSJ"QQT
    
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12. ͋͞ɺ͸͡Ί·͠ΐ͏ (VirtualBox൛) ✓ ϑΝΠϧҰࣜΛμ΢ϯϩʔυ ✓ΠϯετʔϥΛμϒϧΫϦοΫͯ͠ VirtualBox ΛΠϯετʔϧ • Windows൛: VirutalBox-*-Win.exe • macOS൛: VirtualBox-*-OSX.dmg (Intel), VirtualBox-*-OSXArm64.dmg (Apple Silicon) ✓ 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. Ծ૝Ϛγϯͷىಈ (VirtualBox൛) 1. ʮMateriAppsLive…ʯΛબ୒ 2. ىಈϘλϯΛԡ͢ 3. ϩάΠϯը໘͕ͰΔ·Ͱͦͷ ··଴ͭ .BUFSJ"QQT
    
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14. MateriApps LIVE! ΁ͷϩάΠϯ (VirtualBox൛) • 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. ΩʔϘʔυɾղ૾౓ઃఆ (VirtualBox൛) ✓ 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. ϑΝΠϧڞ༗ɾίϐʔ & ϖʔετ (VirtualBox൛) ✓ 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. • ϑΝΠϧҰࣜ • setup.pdf (೔ຊޠ), setup-en.pdf (ӳޠ) • ͜ͷυΩϡϝϯτ • README.html, README-en.html • https://github.com/cmsi/MateriAppsLive/wiki/MateriAppsLive-docker • Docker Desktop Πϯετʔϥ (macOSͷ৔߹) • https://www.docker.com/ ͔Βμ΢ϯϩʔυՄ • XQuartz Πϯετʔϥ (macOSͷ৔߹) • https://www.xquartz.org/ ͔Βμ΢ϯϩʔυՄ • MateriApps LIVE! DockerεΫϦϓτ: setup.sh • https://malive.s3.amazonaws.com/malive.sh MateriApps LIVE! (Docker൛) .BUFSJ"QQT
    
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18. ͋͞ɺ͸͡Ί·͠ΐ͏ (macOS Docker൛) ✓ Docker Desktop Πϯετʔϥͷμ΢ϯϩʔυɾΠϯετʔϧ ✓ XQuartz Πϯετʔϥͷμ΢ϯϩʔυɾΠϯετʔϧɾઃఆ ✓ ڞ༗ϑΥϧμͷઃఆ ✓ MateriApps LIVE! DockerεΫϦϓτͷμ΢ϯϩʔυɾ࣮ߦ • curl -L -O https://sf.net/projects/materiappslive/ fi les/docker/malive.sh • sh malive.sh • ࢀߟ: https://github.com/cmsi/MateriAppsLive/wiki/GettingStartedDocker .BUFSJ"QQT
    
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19. ͋͞ɺ͸͡Ί·͠ΐ͏ (Windows Docker൛) ✓ WSL2 (Windows Subsystem for Linux 2)ͷΠϯετʔϧ ✓ Docker ϦϙδτϦͷઃఆɺapt-get ͷ࣮ߦ ✓ ڞ༗ϑΥϧμͷઃఆ ✓ MateriApps LIVE! εΫϦϓτͷμ΢ϯϩʔυɾ࣮ߦ • curl -L -O https://sf.net/projects/materiappslive/ fi les/docker/malive.sh • sh malive.sh • ৄ͘͠͸ https://github.com/cmsi/MateriAppsLive/wiki/GettingStartedDocker ࢀর .BUFSJ"QQT
    
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20. MateriApps اըɾ੍࡞ • ӡӦ: • ౦ژେֶ෺ੑݚڀॴܭࢉ෺࣭Պֶݚڀηϯλʔ (ISSP-CCMS) • MateriApps ։ൃνʔϜ • Ҫށ߁ଠ (ISSP)ɺּদलี (ࢁܗେཧ)ɺՃ౻ַੜ (ISSP)ɺ઒ౡ௚ً (ISSP)ɺ౻ಊᚸ࣏ (౦ େཧ/ISSP)ɺ෱ాকେ (ISSP)ɺࢁ࡚ ३ (ISSP)ɺ٢ᖒ߳ಸࢠ (RIST)ɺ٢ݟҰܚ (ISSP) • (ҕୗ) ΞΧσϝΠΞ(খ੢༏༞ɺ໺ాਅ࢙ɺࢁాޒଠ) • ڠྗ: • ߴ౓৘ใՊֶٕज़ݚڀػߏ • ܭࢉ෺࣭Պֶਓࡐҭ੒ίϯιʔγΞϜ • σʔλ૑ग़ɾ׆༻ܕϚςϦΞϧݚڀ։ൃϓϩδΣΫτ .BUFSJ"QQT
    
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