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Excerpt

Computational software installed on CCB clusters, and who supports and manages which software.

Question for Lulu

Can the information at the following wiki page be deleted?

See also

  • Roles and responsibilities for clusters managed by ChemIT

    Application

    Who/How manages

    Scheraga

    Hoffmann

    Lancaster/Crane

    Collum

    Widom

    Loring

    Abruna

    ChemIT

    Gaussian

    ChemIT

    g09-C.01

    g09-A.02

     

    g09-A.02

     

     

    g09-A.02

    g09-C.01

    gv

    ChemIT

     

    gv-508

     

    gv-508

     

     

    gv-508

    gv-508

    orca

    ChemIT

     

    orca_3_0_1

    orca_3_0_1

     

     

     

     

    orca_2_9_1

    gromacs

    ChemIT

    gromacs-4.5.4

     

     

     

     

     

     

    gromacs-4.6.5

    Intel Compiler

    ChemIT

    11.1 20100414

    11.1 20100203

     

     

     

     

     

    intel-14

    Mathematica

    ChemIT

     

     

     

     

     

    8.0

     

    8.0

    mpich

    ChemIT

    mpich-1.2.7p1_intel-11.1

    mpich-1.2.7.p1

    mpich-1.2.7.p1

    mpich-1.2.7.p1

     

    mpich-1.2.7p1_intel-10.1

    mpich-1.2.7.p1

    mpich-1.2.7.p1

    openmpi

    ChemIT

    openmpi-1.4.3

    openmpi-1.6.5

    openmpi-1.6.5

     

     

     

     

    openmpi-1.6.5_intel_14

    sbgrid

    ChemIT

     

     

    yes

     

     

     

     

     

    WebMO

    ChemIT

     

     

     

    10.1.002e

     

     

     

     

    CUDA

    ChemIT

    CUDA5.5

     

     

     

     

     

     

     

    Quantum Espresso

    Group?

     

    espresso-4.0.1

     

     

     

     

    espresso-5.0.1

     

    adf

    Group?

     

    adf2012.01

     

     

     

     

     

     

    phonopy

    Group

     

    phonopy-1.6.1

     

     

     

     

     

     

    avogadro

    Group

     

    yes

     

     

     

     

     

     

    xtalopt

    Group

     

    yes

     

     

     

     

     

     

    VASP

    Group

     

    VASP.5.3/vasp.5.lib

     

     

     

     

     

     

    Gamess

    Group

    gamess2009

    yes

     

     

     

     

     

     

    bomb

    Group

     

    bomb27

     

     

     

     

     

     

    boss

    Group

     

    boss48

     

     

     

     

     

     

    mcpro

    Group

     

    mcpro21

     

     

     

     

     

     

    xcrysden

    Group

     

    xcrysden-1.5.53

     

     

     

     

     

     

    mpiexec

    Group

     

    mpiexec-0.83

     

     

     

     

     

     

    yaehmop

    Group

     

    yes

     

     

     

     

     

     

    LAMMPS

    Group

     

    yes

     

     

     

     

     

     

    amber

    Group

    amber10

     

     

     

     

     

     

     

    OpenMM

    Group

    OpenMM4.0

     

     

     

     

     

     

     

    shiftx2

    Group

    shiftx2-v107

     

     

     

     

     

     

     

    sparta+

    Group

    SPARTA+_v2.60

     

     

     

     

     

     


    mopac

    Group

    MOPAC2012