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Run Configuration

Options

Each driving file has an individual run configuration.

Configurable settings:

  • Output directory and Base name define the output location for the simulation results. These settings will be written back to your driving file.

  • Threads: number of OpenMP threads for parallel execution. This setting will be written back to the driving file if the syntax of the file can be parsed (see Syntax Checking). The number of threads reported in the job information under the local tab shows whether parsing was successful or not. If not, it is necessary to check OpenMP enabled executable and modify the parameter for the number of threads in the driving file.

  • App configuration: see App Configuration. Note that the app onfiguration of the active driving file tab will be applied for choosing 'DP_MICRESS', 'help' and 'open example', too.

  • Manual choice: The binary of MICRESS can be chosen manually if activated, i.e. all settings of the app configuration will be used together with the binary here. This feature is useful for executing a beta version or an update of MICRESS. It was introduced for developers, mainly.

  • TQ coupled: enabling the TQ interface for coupling to thermo-dynamic data, i.e. the according MICRESS binary will be chosen from the app configuration.

  • OpenMP enabled executable: enable/disable the parallel binary manually. This will overwrite the choise according to the number of threads.

  • Overwrite results: the security overwrite confirmation can be enabled/disabled here

  • Remote directory: the working directory for remote execution (see submit).

Run configuration of a driving file for local execution

Note: Start the simulation or switching between the driving file and the run configuration will update the driving file and job information.

Refreshing results

MICpad shows the results of simulation and refreshes them for simulation started with MICpad. Automatic/Stop refreshing allows to start or stop this refreshing. Especially, externally started simulation can be monitored by enabling refreshing here, e.g. cluster jobs. MICpad does have to have read access to the simulation files to do this.

Local execution

All options set above will be applied directly to execute MICRESS.

After starting a simulation, the following information are updated:

  • State: current state of simulation job, e.g. running, killed, finished, etc.

  • Input: the driving file used

  • Output: the output path including the base name of the results

  • App: the binary used

  • Threads: number of OpenMP threads

  • Start and End: start and end time and date of the simulation

Remote execution / submitting a job

The intended use of this feature is to submit jobs to a compute cluster. However, the method that is used is flexible enough to do whatever you want.

Remote execution in MICpad is done by sending an execution script to the remote machine. A template for such a script has to be self-configured to take all the possible special situations at user sites into account.

Shell commands for submitting, killing a job, job existence check and job status view will be defined as comments in the script header. In the body of the script, some pre-defined variables, e.g. basename, remote directory, number of threads (NPCUS). These variables will be filled by MICpad (Button Fill template) or automatically at submit time to get an submit script. Button Show Help will show a command definition syntax and a list of variables.

MICpad itself will just execute the defined commands. E.g. the button View Stats will show the output of the user defined command stats. No files will be copied to the remote machine and no files will be copied back despite the user's script will do so.

Of course, this method will work best if the local driving file directory and the remote working directory are the same. The path's (mounts) can be different (see parameter Remote directory ).

Run configuration for remote execution