6.32.1. Basic actions
When Winmostar executes a job on the local machine in file mode (called local job) or in project mode, the JM window shown below is launched and the job is registered in the first queue. In file mode, the Status of queued jobs is first WAIT (waiting to be executed), and then the jobs are registered in order, Priority and RUN in sequence considering the number of execution cores. The job switches to the next job, and the job is started. The Status of a finished job changes to END.
JM is automatically started when executing a local job with Winmostar, but it does not end automatically, so if you want to exit it is the
x (close) button It ends from. When you exit JM, the following jobs in the: guilabel: WAIT state will not start.
If you want to start JM at an arbitrary timing such as stopping JM by mistake, click
on the Winmostar main unit.
If you start the Windows Task Manager and go to the Performance tab, the number of cores of your machine will be displayed in the Number of logical processors field.
Jobs are basically executed in the order of old jobs in the WAIT state, but you can adjust their order by changing Priority. Priority has a lower value job execution with higher priority.
The number of executed cores is set to the value set by the keyword of the solver to be used. For example, the value of %nproc= for G03W, and the value of NCPUS for GAMESS. G03W requires a parallel calculation version, and there is a limit of up to 4 cores.
JM has been adjusted not to start twice, and if you start Winmostar multiple times, the job will be registered for one JM.
JM can manage up to 200 jobs (queues) . If exceeded, old queues are deleted. Even if the running job is deleted from the queue, the job processing itself will continue.
For MOPAC, you can select whether to use JM in the Preferences of Winmostar itself. If you do not use JM, calculation results are automatically loaded into Winmostar's main window after MOPAC calculation, but if you use JM, the user must explicitly load the calculation result on Winmostar after the job is finished .