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アプリケーションライブラリーの構築方法

[注意] 研究室外のコンピューターに使えるか、一度ライセンスをご確認ください。

LX 406Rh-2/110Rh-1/108Th-4G (cclx)

  • ABINIT-8.8.3
  • AlphaFold2 (2021/7/20)
  • AlphaFold2 (2021/8/19)
  • AlphaFold-2.1.1 (2021/11/6)
  • Amber22
  • Amber20-up12
  • Amber20-up9
  • Amber20-up0
  • Amber18-bf16
  • Amber18-bf12
  • Amber18-bf11-volta
  • Amber18-bf1
  • Amber16-bf15
  • Anaconda3-2020.02 (2020/5/13)
  • Anaconda3-2019.03 (2019/7/3)
  • Anaconda2-2019.03 (2019/7/4)
  • CP2K-9.1
  • CP2K-8.2.0
  • CP2K-7.1.0 (intel / gnu)
  • CP2K-6.1.0 (intel / gnu)
  • DIRAC-19.0
  • DIRAC-18.0
  • FFmpeg-4.4
  • GAMESS-2021Jun30 (2021 R1)
  • GAMESS-2020Jun30
  • GAMESS-2019Sep30
  • GAMESS-2018Sep30
  • GAMESS-2018Feb14
  • GAMESS-2017Nov11
  • GENESIS-1.7.0 (CPU / GPU)
  • GENESIS-1.6.0 (CPU / GPU)
  • GENESIS-1.4.0 (CPU / GPU)
  • GENESIS-1.3.0 (CPU / GPU)
  • GENESIS-1.1.6 (CPU / GPU)
  • Gromacs-2021.4 (CPU(gnu) / GPU(gnu) / CPU(intel) / GPU(intel))
  • Gromacs-2021.2 (CPU(gnu) / GPU(gnu) / CPU(intel) / GPU(intel))
  • Gromacs-2020.7 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Gromacs-2020.6 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Gromacs-2020.4 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Gromacs-2020.2 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Gromacs-2019.6 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Gromacs-2019.4 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Gromacs-2019.2 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Gromacs-2018.8 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Gromacs-2018.7 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Gromacs-2018.6 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Gromacs-2018.3 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Gromacs-2018.1 (CPU(intel) / CPU(gcc))
  • Gromacs-2016.6 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Gromacs-2016.5 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Gromacs-5.1.5 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • LAMMPS-29Sep21 (CPU / CPU+GPU)
  • LAMMPS-29Oct20 (CPU / CPU+GPU)
  • LAMMPS-7Aug19 (CPU / CPU+GPU)
  • LAMMPS-22Aug18
  • LAMMPS-16Mar18 (CPU(intel) / GPU(intel) / CPU(gcc) / GPU(gcc))
  • Luscus-0.8.6
  • Molpro2021.3.1
  • Molpro2021.1.0
  • Molpro2020.1.2 (gcc / intel)
  • Molpro2019.2.3
  • Molpro2019.1.2
  • Molpro2018.2
  • Molpro2015.1-pl44
  • Molpro2015.1-pl33
  • Molpro2015.1-pl27
  • NAMD-2.13 (CPU / CPU+GPU)
  • NBO-7.0.7
  • NBO-7.0.2
  • NWChem-7.0.2
  • NWChem-6.8
  • OpenMolcas v21.10
  • OpenMolcas v20.10
  • OpenMolcas (2019/6/4)
  • OpenMPI-4.0.2 (gcc, intel)
  • OpenMPI-4.0.0 (gcc, intel)
  • OpenMPI-3.1.0 (gcc, intel)
  • OpenMPI-2.1.3 (gcc, intel)
  • PSI4-1.5
  • Python 3.9.9 (miniforge3)
  • Quantum Espresso 6.8 (CPU / GPU)
  • Quantum Espresso 6.7 (CPU / GPU)
  • Quantum ESPRESSO 6.5
  • Quantum ESPRESSO 6.3
  • Quantum ESPRESSO 5.4
  • Siesta-4.1.5 (MPI / OpenMP)
  • Siesta-4.0.2
  • VMD-1.9.3

Primergy RX300/CX2550 (ccpg)

  • ABINIT-7.8.2
  • Amber16-bf3
  • Amber14-bf11
  • Amber14-bf10
  • Amber14-bf0
  • Amber12-bf21
  • Amber12-bf7
  • Amber11-bf19
  • AutoDock-4.2.6
  • GAMESS-2017Apr20
  • GAMESS-2014Dec05
  • GAMESS-2013May01
  • GAMESS-2012May01
  • GENESIS-1.1.5 (CPU / GPU)
  • GENESIS-1.1.1 (CPU / GPU)
  • GENESIS-1.1.0 (CPU / GPU)
  • Gromacs-2016.3 (CPU / GPU)
  • Gromacs-2016.1 (CPU / GPU)
  • Gromacs-5.1.4 (CPU / GPU)
  • Gromacs-5.1.2 (CPU / GPU)
  • Gromacs-5.0.6
  • Gromacs-5.0.4
  • Gromacs-5.0
  • Gromacs-4.6.6
  • Gromacs-4.6.5
  • Gromacs-4.6.1
  • Gromacs-4.5.5
  • Molcas-8.2
  • Molcas-8.0sp1
  • Molcas-8.0
  • Molpro2015.1-pl19
  • Molpro2015.1-pl5
  • Molpro2015.1-pl0
  • Molpro2012.1-pl37
  • Molpro2012.1-pl25
  • Molpro2012.1-pl15
  • NAMD-2.11
  • NAMD-2.9
  • PSI-4.0b5
  • Quantum ESPRESSO-6.1
  • Quantum ESPRESSO-5.1.1
  • Quantum ESPRESSO-5.0.1
  • SIESTA-3.1
  • SMASH-2.2.0
  • SMASH-2.1.0
  • SMASH-2.0.0
  • SMASH-1.1.0

UV2000 (ccuv)

  • Amber16-bf3
  • Amber14-bf10
  • Amber14-bf0
  • Amber12-bf21
  • Amber12-bf7
  • GAMESS-2017Apr20
  • GAMESS-2014Dec05
  • GAMESS-2013May01
  • GAMESS-2012May01
  • GEMESIS-1.1.5
  • GENESIS-1.1.1
  • GENESIS-1.1.0
  • Gromacs-5.1.4
  • Gromacs-5.1.2
  • Gromacs-5.0.6
  • Gromacs-5.0.4
  • Gromacs-5.0
  • Gromacs-4.6.6
  • Gromacs-4.6.5
  • Gromacs-4.5.5
  • Molcas-8.2
  • Molcas-8.0sp1
  • Molcas-8.0
  • Molpro2015.1-pl19
  • Molpro2015.1-pl5
  • Molpro2015.1-pl0
  • Molpro2012.1-pl37
  • Molpro2012.1-pl25
  • Molpro2012.1-pl15
  • PSI-4.0b5
  • Quantum ESPRESSO-5.0.1
  • SMASH-2.2.0
  • SMASH-2.1.0
  • SMASH-2.0.0
  • SMASH-1.1.0