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ORCA

Software Versions

Software Version System Usage Notes
ORCA 4.0.1.2 Grex

Installed in /global/software/orca/orca_4_0_1_2_linux_x86-64_shared_openmpi202

See the main WestGrid ORCA page for getting access to ORCA and for sample job script.

module load orca/4.0.1.2

ORCA 4.0.0.2 Grex

Installed in /global/software/orca/orca_4_0_0_2_linux_x86-64_shared

See the main WestGrid ORCA page for getting access to ORCA and for sample job script.

module load orca/4.0.0.2

ORCA 3.0.3 Parallel

Binaries have been installed in /global/software/orca/orca_3_0_3_linux_x86-64/ .   See the main WestGrid ORCA page for a sample job script.

ORCA 3.0.3 Grex

Initialize your environment with:

module load orca/3.0.3

See the main WestGrid ORCA page for a sample job script.

ORCA 3.0.2 Grex

module load orca/3.0.2

ORCA 3.0.1 Grex

module load orca/3.0.1

ORCA 2.9.0 Parallel

/global/software/orca orca_2_9_0_ linux_ x86-64

ORCA 2.8.0.2 is also available Parallel