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