Does AIMAll support use of multiple processors / cores?
Yes, support for optionally running AIMExt and AIMInt jobs using multiple processors (shared memory only) is available (AIMAll Professional required for non-small wavefunctions). Support for optionally running multiple AIMInt jobs simultaneously (i.e., calculating more than one atom at a time) using multiple processors is also available (AIMAll Professional required for non-small wavefunctions). Multiprocessor options are specifiable via the “Processors” and “Atoms at a Time” fields of the AIMQB dialog or via the “-nproc” and “-naat” command-line arguments to AIMQB. Note that the most effective use of multiple processors for small wavefunctions is to calculate more than one atom at a time (e.g., -nproc=3 -naat=3). For large wavefunctions, using more than one processor per atomic calculation becomes effective (e.g., -nproc=3 -naat=1). More information about multiprocessing can be found here and here.
