Difference between revisions of "Q-Chem/Parallel"

From ScientificComputing
Jump to: navigation, search
(Created page with "When you would like to run Q-Chem in parallel, then it is sufficient to request multiple cores from the batch system and to use the Q-Chem options <tt>-nt</tt> (using multiple...")
 
 
Line 1: Line 1:
When you would like to run Q-Chem in parallel, then it is sufficient to request multiple cores from the batch system and to use the Q-Chem options <tt>-nt</tt> (using multiple threads) or <tt>-np</tt> (using multiple processes).
+
When you would like to run Q-Chem in parallel, then it is sufficient to request multiple cores from the batch system and to specify one of the Q-Chem options <tt>-nt</tt> (using multiple threads) or <tt>-np</tt> (using multiple processes). You need to set the Q-Chem option to the same value as you have specified, when requesting the number of cores from the batch system.

Latest revision as of 16:35, 7 December 2016

When you would like to run Q-Chem in parallel, then it is sufficient to request multiple cores from the batch system and to specify one of the Q-Chem options -nt (using multiple threads) or -np (using multiple processes). You need to set the Q-Chem option to the same value as you have specified, when requesting the number of cores from the batch system.