MateriApps LIVE! の設定
•
0 likes•543 views
MateriApps LIVE! provides a concise Linux environment for computational materials science. The May 18, 2021 version 3.3 update includes over 20 computational materials science codes and visualization tools. It can be run directly from a USB or installed in virtual machines on Windows, MacOS, and Linux systems. Tutorials are available to help users get started with codes for electronic structure calculations, molecular dynamics, and more.
![MateriApps LIVE! ։ൃνʔϜ
MateriApps LIVE! ͷઃఆ
2021/05/18 [for version 3.3]](https://image.slidesharecdn.com/setup-210518035555/85/MateriApps-LIVE-1-320.jpg)
Recommended
More Related Content
What's hot
What's hot (20)
Similar to MateriApps LIVE! の設定
Similar to MateriApps LIVE! の設定 (20)
More from Computational Materials Science Initiative
More from Computational Materials Science Initiative (13)
Recently uploaded
Recently uploaded (20)
MateriApps LIVE! の設定
- 1. MateriApps LIVE! ։ൃνʔϜ MateriApps LIVE! ͷઃఆ 2021/05/18 [for version 3.3]
- 2. MateriApps — ࣭ՊֶγϛϡϨʔγϣϯͷϙʔλϧαΠτ • ެ։ιϑτΣΞ(ΞϓϦέʔγϣϯ)Λ֩ͱͨ͠ίϛϡχςΟʔܗΛΊͯ͟͠ .BUFSJ"QQT MMSJHIUTSFTFSWFE 2 • 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։
- 5. 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౷߹(ڥ4)ɺ ػցֶश(20)ɺྔࢠ(ࢉܭ6)
- 6. MateriApps ׆ಈͷత • ։ൃऀଆ͔Βͷ • ༗ӹͳϓϩάϥϜͬͱΘΕΔ͖͕ͩɺଟ͘ͷ ιϑτͯͬ·ͲͱʹࣨڀݚऴΘΔ • ެ։ɾใൃ৴ʹख͕͔͔ؒΔ • ΞϓϦ։ൃΛՌͱͯ͠ओு͠ʹ͍͘(ࢦඪ͕ͳ͍) • ར༻ऀଆ͔Βͷ • ͲΜͳϓϩάϥϜ͕͋Δͷ͔Α͘Θ͔Βͳ͍ • Πϯετʔϧɾ͍ํʹ͍ͭͯΓ͍ͨ • ։ൃऀͷ׆ಈ(ಛʹߨशձใ)ΛͬͱΓ͍ͨ • MateriApps ͷత • ΞϓϦͷ͑ݟΔԽΛ௨ͯ͡։ൃऀͱར༻ऀΛͭͳ͙ίϛϡχςΟʔΛҭͯΔ .BUFSJQQT MMSJHIUTSFTFSWFE 4
- 7. ΞϓϦέʔγϣϯීʹٴΉ͚ͨࡾຊப • ΞϓϦͷใൃ৴ • ϙʔλϧαΠτ MateriApps web • ݸਓɾࣨڀݚϨϕϧͰͷΞϓϦར༻ͷࢧԉ • MateriApps LIVE! • εύίϯ্ͰͷΞϓϦར༻ࢧԉ • ַࠃओཁεύίϯͷΞϓϦͷϓϨΠϯετʔϧ MateriApps Installer • ΠϯετʔϧೖྗϑΝΠϧͷ४උʹ͓͚ΔʮนʯΛղফ • ࢉܭՊֶͷઐՈ͚ͩͰͳ͘ɺ࣮ݧՈۀاͷར༻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
- 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 .BUFSJQQT MMSJHIUTSFTFSWFE 6
- 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 .BUFSJQQT MMSJHIUTSFTFSWFE 7
- 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 .BUFSJQQT MMSJHIUTSFTFSWFE 8
- 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 .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
- 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! .BUFSJQQT MMSJHIUTSFTFSWFE 10
- 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!) .BUFSJQQT MMSJHIUTSFTFSWFE 11
- 14. VirtualBox ͔Βͷىಈ 1. ʮMateriAppsLive…ʯΛબ 2. ىಈϘλϯΛԡ͢ 3. ϩάΠϯը໘͕ͰΔ·Ͱͦͷ ··ͭ .BUFSJQQT MMSJHIUTSFTFSWFE 12
- 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 .BUFSJQQT MMSJHIUTSFTFSWFE 13 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 .BUFSJQQT MMSJHIUTSFTFSWFE 14
- 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 .BUFSJQQT MMSJHIUTSFTFSWFE 15
- 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) .BUFSJQQT MMSJHIUTSFTFSWFE 16
- 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 .BUFSJQQT MMSJHIUTSFTFSWFE 17