This submodule controls the performance of the parallel version of DALTON. The implementation has been described elsewhere [90]. DALTON only supports MPI as message passing interface in the current release.
Transfers the print level from the master
to the slaves, otherwise the print level on the slaves will always be
zero. Only for debugging purposes.
READ (LUCMD,*) NDEGDI
Determines the percent of available tasks that is to be distributed in a given distribution of tasks, where a distribution of tasks is defined as the process of giving batches to all slaves. The default is 5% , which ensures that each slave will receive 20 tasks during one integral evaluation, which will give a reasonable control with the idle time of each slave.
READ (LUCMD,*) NODES
When MPI is used as message passing interface, the
default value is the number of nodes that has been assigned to the
job, and these nodes will be partitioned into one master and
NODES-1 slaves. In most cases the program will
find the number of nodes from the run-shell environment and setting
equal to the number of nodes requested when submitting the MPI job minus 1.
READ (LUCMD, *) IPRPAR
Read in the print level for the parallel calculation. A print level of at least 2 is needed in order to be able to evaluate the parallel efficiency. A complete timing for all nodes will be given if the print level is 4 or higher.