Q-Chem/Parallel

From ScientificComputing
Jump to: navigation, search

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.