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Gaussian

Collum, Hoffmann, Scheraga

Linux and Mac (64-bit).versions are source code which ChemIT must compile using expensive PGI compiler (below).
(N.B. Executable provided to CCB of Windows versions 32- and 64-bit.)

Orca

Collum, Hoffmann, Lancaster
Scheraga?

SBGrid setup

Crane

gromacs

Crane (Lancaster), Lancaster, Scheraga, Widom

Compilier: Intel

Scheraga
Hoffmann borrowing it, a bit.

Ananth (at CAC cluster)

Compilier: GCC

Orca

Compilier: PGI

n/a

Used by ChemIT since required to compile Gaussian.

YUM

(Yellow Dog) Update manager

Driver: CUDA

Scheraga