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RCCS Reference Manual
How to compile applications installed in RCCS
[Caution] Please confirm the software license whether you can use it outside your laboratory.
LX 406Rh-2/110Rh-1/108Th-4G (cclx)
ABINIT-8.8.3
Amber20-up0
Amber18-bf16
Amber18-bf12
Amber18-bf11-volta
Amber18-bf1
Amber16-bf15
Anaconda3-2020.02 (May 13, 2020)
Anaconda3-2019.03 (Jul. 3, 2019)
Anaconda2-2019.03 (Jul. 4, 2019)
CP2K-7.1.0 (
intel
/
gnu
)
CP2K-6.1.0 (
intel
/
gnu
)
DIRAC-18.0
GAMESS-2020Jun30
GAMESS-2019Sep30
GAMESS-2018Sep30
GAMESS-2018Feb14
GAMESS-2017Nov11
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-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-7Aug19 (
CPU
/
CPU+GPU
)
LAMMPS-22Aug18
LAMMPS-16Mar18 (
CPU(intel)
/
GPU(intel)
/
CPU(gcc)
/
GPU(gcc)
)
Luscus-0.8.6
Molpro2020.1.2 (
gcc
/
intel
)
Molpro2019.2.3
Molpro2019.1.2
Molpro2018.2
Molpro2015.1-pl33
Molpro2015.1-pl27
NAMD-2.13 (
CPU
/
CPU+GPU
)
NBO-7.0.7
NBO-7.0.2
NWChem-6.8
OpenMolcas v20.10
OpenMolcas (June 4, 2019)
OpenMPI-4.0.2 (gcc, intel)
OpenMPI-4.0.0 (gcc, intel)
OpenMPI-3.1.0 (gcc, intel)
OpenMPI-2.1.3 (gcc, intel)
Quantum Espresso 6.7 (
CPU
/
GPU
)
Quantum ESPRESSO 6.5
Quantum ESPRESSO 6.3
Quantum ESPRESSO 5.4
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
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
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
GENESIS-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
SMASH-2.2.0
SMASH-2.1.0
SMASH-2.0.0
SMASH-1.1.0
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