How do I submit Distributed MacroModel jobs to a queuing system?
Distributed MacroModel jobs, are managed by Schrödinger’s job control facility which may also work with a queuing system. Distributed MacroModel divides the total amount of work into separate independent tasks, while the queuing system controls what resource is assigned to execute each task. The following guidelines are to assist the successful integration of the two different load balancing systems. To allow the queuing system to manage the load, each task created by Distributed MacroModel is treated as a new job and independently submitted to the queue. If the wait time in the queue is expected to be long, consider increasing the size of the tasks and decreasing the total number of tasks. The job control facility uses a host file to select hosts, starting at the beginning of the host file. Therefore, the queue definitions used for a Distributed MacroModel job must appear at the top of the file. Consider creating a local copy of a schrodinger.hosts file, which may be used by all jobs
