CASTEP > Dialogs in CASTEP > CASTEP Calculation dialog > Job Control tab > CASTEP Job Control Options dialog

CASTEP Job Control Options dialog

The CASTEP Job Control Options dialog allows you to set the options associated with monitoring and controlling the results of a CASTEP calculation.

Update structure: When checked, indicates that intermediate results will be used to update the displayed structure as the job progresses. Default = unchecked.

Update graphs: When checked, indicates that intermediate results will be used to update the displayed graphs as the job progresses. Default = checked.

Update textual results: When checked, indicates that intermediate results will be used to update textual results files as the job progresses. Default = checked.

Intermediate updates are useful shortly after initiating a job to assess if it is progressing as expected.

Update every: Specify the time interval, in seconds, between requests for intermediate updates.

The rate at which new results appear is limited by the time it takes for the CASTEP server to perform a single iteration step of the chosen task. This may be significantly longer than the chosen update interval.

Retain server files: When checked, indicates that the folder on the server containing the job files will be retained after the job is complete. Default = unchecked.

If this checkbox is left unchecked, the job files on the server will be deleted. Regardless of whether it is checked or unchecked, copies of the results files will always be retrieved from the server, placed in the associated project on the local machine, and displayed in the Project Explorer.

It may be useful to retain the server files so that standalone CASTEP runs can performed.

Automatically view output: When checked, the output files from the job will be opened automatically when the calculation is completed. Files opened may include a structure document and a CASTEP output (.castep) file for the main task performed by the job. Default = checked.

Notify on job completion: When checked, indicates that a dialog will be displayed when the job is complete. Default = checked.

If you run several short jobs in one session, you may find it useful to stop the automatic display of job completion notices and results files.

Return BibTeX list of references: When checked, indicates that a BibTeX formatted list of references used for this run will be returned when the job has completed.

Return complete check file: When checked, indicates that the full check file will be returned when the job has completes. Availability of this file (which can be very large) can accelerate the restart of a job.

This option does not apply to calculations using the nonlocal exchange correlation potential. In this case the check file is always returned so that restarts are enabled.

Help: Displays this Help topic.

Access methods

Menu Modules | CASTEP | Calculation | Job Control | More...
Toolbar | Calculation | Job Control | More...
See Also:

CASTEP jobs
Job Control tab - CASTEP Calculation dialog

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014
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