TABLE II.

Available parallelizations for various modules. Fork-SMP⁴¹ and the OpenMP version^{22,26,39,40,42} are restricted to calculations on a single node, whereas MPI^{35–38,122–124} and OpenMP/MPI hybrid¹²⁵ implementations allow for the use of multiple nodes. A detailed description of the modules is given in TURBOMOLE’s manual.⁴³

Module	Fork-SMP	OpenMP	MPI	OpenMP/MPI
dscf	✓	✓	✓	✓
grad	✓	✓	✓	✓
aoforce	✓	✓	✓	✓
ridft	✓	✓	✓	X
rdgrad	✓	✓	✓	X
escf	✓	✓	✓	✓
egrad	✓	✓	X	X
mpgrad	✓	X	✓	X
mpshift	X	✓	X	X
ricc2	X	✓	✓	✓
pnoccsd	X	✓	✓	✓
ccsdf12	X	✓	X	X
rirpa	X	✓	X	X
riper	X	✓	X	X