In addition to the installation steps described in
Section 2 (see page ) you just have to
set the variable
SMP, i.e. in
sysnameto append the string
_smpto the system name and the scripts like
jobexwill take the parallel binaries by default. To call the parallel versions of the programs ridft, rdgrad, dscf, ricc2, aoforce, escf or egrad from your command line without explicit path, expand your
$PATHenvironment variable to:
The default for
PARNODES is 2.
NOTE: Depending on what you are going to run, some care has to be taken that the system settings like memory limits, etc. will not prevent the parallel versions to run. See the following sections.