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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

Computational Software List, by cluster

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

 

 

 

 

 

 

 

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