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MateriApps LIVE! の設定
- 2. MateriApps — ࣭ՊֶγϛϡϨʔγϣϯͷϙʔλϧαΠτ
• ެ։ιϑτΣΞ(ΞϓϦέʔγϣϯ)Λ֩ͱͨ͠ίϛϡχςΟʔܗΛΊͯ͟͠
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• 282ͷ࣭ՊֶΞϓϦέʔγϣϯ
πʔϧΛհ(20215݄
)ࡏݱ
• ʮΓ͍ͨ͜ͱʯ͔ΒΞϓϦέʔγϣ
ϯΛ
ࡧݕ
• ࡧݕλάɿʮಛʯʮରʯʮख๏ɾΞ
ϧΰϦζϜʯ
• ։ൃऀͷΛར༻ऀʹಧ͚Δ
• ։ൃऀใɺΞϓϦͷັྗɾকདྷੑ
• ߨशձใɾwebߨशձɾߋ৽ใ
• ΩʔϫʔυղઆɺΞϓϦίϯγΣϧ
δϡɺϨϏϡʔ
ࣄه
• ݄ؒ 22,000+ ϖʔδϏϡʔɺ6,700+ Ϣ
χʔΫϢʔβ (2020)
20135݄ެ։
- 6. MateriApps ׆ಈͷత
• ։ൃऀଆ͔Βͷ
• ༗ӹͳϓϩάϥϜͬͱΘΕΔ͖͕ͩɺଟ͘ͷ
ιϑτͯͬ·ͲͱʹࣨڀݚऴΘΔ
• ެ։ɾใൃ৴ʹख͕͔͔ؒΔ
• ΞϓϦ։ൃΛՌͱͯ͠ओு͠ʹ͍͘(ࢦඪ͕ͳ͍)
• ར༻ऀଆ͔Βͷ
• ͲΜͳϓϩάϥϜ͕͋Δͷ͔Α͘Θ͔Βͳ͍
• Πϯετʔϧɾ͍ํʹ͍ͭͯΓ͍ͨ
• ։ൃऀͷ׆ಈ(ಛʹߨशձใ)ΛͬͱΓ͍ͨ
• MateriApps ͷత
• ΞϓϦͷ͑ݟΔԽΛ௨ͯ͡։ൃऀͱར༻ऀΛͭͳ͙ίϛϡχςΟʔΛҭͯΔ
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- 7. ΞϓϦέʔγϣϯීʹٴΉ͚ͨࡾຊப
• ΞϓϦͷใൃ৴
• ϙʔλϧαΠτ MateriApps web
• ݸਓɾࣨڀݚϨϕϧͰͷΞϓϦར༻ͷࢧԉ
• MateriApps LIVE!
• εύίϯ্ͰͷΞϓϦར༻ࢧԉ
• ַࠃओཁεύίϯͷΞϓϦͷϓϨΠϯετʔϧ MateriApps Installer
• ΠϯετʔϧೖྗϑΝΠϧͷ४උʹ͓͚ΔʮนʯΛղফ
• ࢉܭՊֶͷઐՈ͚ͩͰͳ͘ɺ࣮ݧՈۀاͷར༻ɺڭҭ׆ಈʹ͓͚Δ༻׆
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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
- 8. MateriApps LIVE! ͱʁ
• ԾϚγϯ্ͰϒʔτͰ͖Δ Live Linux
• WindowsɺMac ͳͲͰར༻Մ
• Πϯετʔϧ࡞Ͱ͠ͳۀ࣭ՊֶΞϓϦΛ࣮ߦͰ͖Δ
• όʔδϣϯ3.3ެ։ (20215݄)
• MateriAppsͰհ͍ͯ͠Δެ։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, VMDࣗಈΠϯετʔϥʔ͋Γ
• MateriApps LIVE! αΠτ͔ΒμϯϩʔυՄೳ
• 20137݄Ҏདྷɺ12,000+ίϐʔΛ
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- 9. MateriApps LIVE! ͕ʹཱͭγνϡΤʔγϣϯ
• MateriApps LIVE! Λ༻͍ͨߨशձ
• MateriApps LIVE! ϋϯζΦϯ
• HΦɺxTAPPɺALPSɺDCoreɺmVMCɺALAMODEɺDDMRGɺDSQSSɺ
SALMONɺCASINOɺTeNeSଞ
• ߨٛͰͷར༻ྫ (౦େɺ౦େɺଞ)
• ࢉܭཧֶɺࢉܭՊֶ֓
• ݧ࣮ػࢉܭ (UNIX + C ࣮शڥɺLaTeXɺόʔδϣϯཧγεςϜ)
• ࣮ऀڀݚݧɾʹऀڀݚۀاΑΔར༻
• ػࢉܭՊֶͷʹऀڀݚΑΔར༻
• ࠷ۙͰτϥϒϧ΄΅θϩɻ15ఔͰηοτΞοϓ
ྃ
• ༰қʹڥΛἧ͑Δ͜ͱ͕Ͱ͖ΔͷͰɺಈ࡞֬ೝɾτϥϒϧγϡʔςΟϯάɾϢʔ
βαϙʔτʹศར
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- 10. MateriApps LIVE! ʹΑΔ࣭ՊֶγϛϡϨʔγϣϯ
• ΠϯτϩμΫγϣϯ / ४උ
• ୈҰݪཧࢉܭख๏ʹΑΔόϯυࢉܭ (OpenMX / Quantum ESPRESSO / xTAPP)
• ࢠಈྗֶ๏ʹΑΔ༹ӷͷγϛϡϨʔγϣϯ (LAMMPS / Gromacs)
• ֨ࢠܕγϛϡϨʔγϣϯ (ALPS / HΦ / mVMC)
• ྔࢠԽֶࢉܭ (४උத)
• https://github.com/cmsi/MateriAppsLive/wiki/MaLiveTutorial ʹϦϯΫूΛඋத
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- 11. ͬͱେنͳࢉܭΛ͍ͨ͠ʁ
• Debian Ubuntu ͕Πϯετʔϧ͞Εͨ Linux ϫʔΫεςʔγϣϯ
• MateriApps LIVE! ͷ Debian Package ͕ར༻Մೳ
• https://github.com/cmsi/MateriAppsLive/wiki/UsingMateriAppsInDebian
• (Google ColabʹΠϯετʔϧՄ)
• PCΫϥελɺΫϥυɺੑݚใج൫ηϯλʔͷεύίϯɺַͳͲ
• MateriApps Installer Λར༻ https://ma.issp.u-tokyo.ac.jp/app/268
• 2020 ౦େੑݚιϑτΣΞ։ൃɾߴԽϓϩδΣΫτͱͯ͠ɺϦ
χϡʔΞϧ
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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
- 12. • MateriApps LIVE! USB
• setup.pdf, setup-en.pdf
͜ͷυΩϡϝϯτ
• README.html, README-en.html
(https://github.com/cmsi/MateriAppsLive/wiki/MateriAppsLive-ova ͱಉ͡ͷ)
• VirtualBox Πϯετʔϥ: VirtualBox-*-OSX.dmg, VirtualBox-*-Win.exe
(https://www.virtualbox.org/wiki/Downloads ͔ΒμϯϩʔυՄ)
• MateriApps LIVE! VitualBox σΟεΫΠϝʔδ: MateriAppsLive-*-amd64.ova
(http://sourceforge.net/projects/materiappslive/
fi
les/ ͔ΒμϯϩʔυՄ)
MateriApps LIVE!
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- 13. ͋͞ɺ͡Ί·͠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
• 2ʙ3͔͔Δ͕ྃ͢ΔͱϚωʔδϟʔ͕ىಈ
• ϗετ (ϗετOS) : ͱͱಈ͍͍ͯΔ OS (WindowsɺMac OS X ͳͲ)ͷ͜ͱ
• ԾϚγϯ (ήετOS) : VirtualBox ͷதͰಈ͍͍ͯΔ OS (= MateriApps LIVE!)
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- 15. MateriApps LIVE! ͷϩάΠϯ
• ԼهͷใΛͬͯϩάΠϯ
• Ϣʔβ໊ (login): user
• ύεϫʔυ (password): live
• ӈͷσεΫτοϓը໘͕ग़Εޭ
• ελʔτϝχϡʔ
• λʔϛφϧͷ։͖ํ
ʮελʔτϝχϡʔʯ㱺ʮSystem Toolsʯ㱺ʮLXTerminalʯ
• ԾϚγϯͷऴྃ (γϟοτμϯ)
ʮελʔτϝχϡʔʯ㱺ʮLogoutʯˠʮShutdownʯ
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CD-ROMϘλϯ
- 16. Ճͷઃఆ (1/2)
✓ ΩʔϘʔυ: ຊޠΩʔϘʔυ(ʮˏʯ͕ʮPʯͷӈʹ͋Δ)Λ͍ͬͯΔ߹
• ʮελʔτϝχϡʔʯ㱺ʮSystem Toolsʯ㱺ʮSwitch to Japanese Keyboard
Layoutʯ
• ʮˏʯ͕ਖ਼͘͠ೖྗͰ͖Δ͜ͱΛ֬ೝ
✓ ԾϚγϯΠϯυͷղ૾ɾεέʔϧͷมߋ
• ղ૾ (ըૉ): σϑΥϧτͰʮ800 x 600ʯ
• εέʔϧ(ըૉີ): σϑΥϧτͰʮ200%ʯ
• ղ૾ͱεέʔϧϗετOSͷʮϏϡʔʯϝχϡʔ 㱺ʮԾεΫϦʔϯ 1ʯ
͔ΒมߋͰ͖Δ
• VESTA, OVITO, ParaViewͳͲͷՄࢹԽιϑτΛ͏߹ղ૾Λʮ1024 x
768ʯҎ্ʹઃఆ͢ΔͱΑ͍
• จࣈ͕খ͍ͯ͘͘͞ʹݟ߹ʹεέʔϧΛେ͖͘͢Δ
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- 17. Ճͷઃఆ (2/2)
✓ ϑΝΠϧڞ༗: ϗετOSͱԾϚγϯؒͷϑΝΠϧڞ༗
• ԾϚγϯΛ͍ͬͨΜγϟοτμϯ
• VirtualBox Ϛωʔδϟʔը໘Ͱ MateriAppsLive-* Λબ͠ʮઃఆʯ
• ʮڞ༗ϑΥϧμʔʯλϒΛ։͖ɺӈଆͷʮ+ʯΛΫϦοΫ
• ʮϑΥϧμʔͷύεʯͷӈଆͷʮͅʯϚʔΫΛΫϦοΫ͠ɺʮͦͷଞʯΛબ
ɻڞ༗͢ΔϑΥϧμʔΛબɺʮࣗಈϚϯτʯΛνΣοΫ͠ʮOKʯ
• ԾϚγϯΛىಈɻ্Ͱબͨ͠ϑΥϧμ͕ɺ/media/sf_... ͷԼʹ͑ݟΔ
✓ ISOΠϝʔδϑΝΠϧ(*.iso)ͷதΛԾϚγϯ͔Βࢀর͢Δ
• ԾϚγϯΠϯυͷͷԼʹ͋ΔCD-ROMͷΞΠίϯΛΫϦοΫɺ
ʮChoose disk image...ʯΛબ͠ɺISOΠϝʔδϑΝΠϧΛ։͘
• ISOΠϝʔδϑΝΠϧͷத͕ɺ/media/cdrom0 ͷԼʹ͑ݟΔ
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- 18. Tips
✓ ίϐʔ ϖʔετ: ϗετOSͰPDFϑΝΠϧ͔Βίϐʔͨ͠จࣈྻΛɺԾϚγ
ϯͷλʔϛφϧͰϖʔετ͢Δํ๏
• λʔϛφϧ্ͰӈΫϦοΫ 㱺ʮPasteʯ(͋Δ͍ʮshift + control + Vʯ)
• จࣈྻͷίϐʔɺӈΫϦοΫ 㱺ʮCopyʯ(͋Δ͍ʮshift + control + Cʯ)
✓ ίϚϯυ໊ϑΝΠϧ໊ͷิɾཤྺɾஞ࣍
ࡧݕ
• λʔϛφϧೖྗதʹɺ్தͰ tab ΩʔΛୟ͘ͱɺίϚϯυ໊ϑΝΠϧ໊Λ
ิ͢Δ͜ͱ͕Ͱ͖Δ
• λʔϛφϧͰʮˢʯΩʔΛୟ͘ͱɺ͜Ε·Ͱʹ࣮ߦͨ͠ίϚϯυཤྺΛḪΔ
͜ͱ͕Ͱ͖Δ
• λʔϛφϧͰʮhistoryʯίϚϯυΛ࣮ߦ͢Δͱɺ͜Ε·Ͱʹ࣮ߦͨ͠ίϚϯ
υҰཡ͕දࣔ͞ΕΔ
• λʔϛφϧͰʮCtrl + rʯΛୟ͘ͱɺ͜Ε·Ͱʹ࣮ߦͨ͠ίϚϯυΛٯஞ࣍ݕ
ࡧ (reverse incremental search Ͱ͖Δ)
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- 19. MateriApps اըɾ੍࡞
• ӡӦ:
• ౦ژେֶੑࢉܭॴڀݚ࣭Պֶڀݚηϯλʔ (ISSP-CCMS)
• MateriApps ։ൃνʔϜ
• Ҫ߁ށଠ (ISSP)ɺּদलี (ࢁܗେཧ)ɺՃ౻ַੜ (ISSP)ɺౡً (ISSP)ɺ
ݹӉాޫ (ISSP)ɺ౻ಊᚸ࣏ (౦େཧ/ISSP)ɺాকେ (ISSP)ɺ٢ᖒ߳ಸࢠ (RIST)
• (ҕୗ) খ༏༞ɺࢁాޒଠ
• ྗڠ:
• ߴใՊֶٕज़ߏػڀݚ (RIST)
• εϙϯαʔ
• ݩૉઓུϓϩδΣΫτʻܗڌܕʼ
• ʮַʯՌग़ՃϓϩάϥϜʮେنͱࢉܭ
デ
ʔλۦಈख๏ʹΑΔߴੑೳӬٱ
࣓ੴͷ։ൃʯ
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