The CP2K project : input section JOB

Section JOB

Index of all sections. This section is located at __ROOT__%FARMING%JOB.

description of the jobs to be executed. This section can be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

DIRECTORY
DIRECTORY /my/path
the directory in which the job should be executed
This required keyword expects a string. Default value: .
INPUT_FILE_NAME
input_file my_input.inp
the filename of the input file
This required keyword expects a string. Default value: input.inp
JOB_ID
JOB_ID 13
An ID used to indentify a job in DEPENDENCIES. JOB_IDs do not need to be unique, dependencies will be on all jobs with a given ID. If no JOB_ID is given, the index of the &JOB section in the input file will be used.
This optional keyword expects an integer
DEPENDENCIES
DEPENDENCIES 13 1 7
specifies a list of JOB_IDs on which the current job depends. The current job will not be executed before all the dependencies have finished. The keyword requires a MASTER_SLAVE farming run. Beyond the default case, some special cases might arise: 1) circular dependencies will lead to a deadlock. 2) This keyword is not compatible with CYCLE. 3) MAX_JOBS_PER_GROUP is ignored (though only a total of MAX_JOBS_PER_GROUP*NGROUPS jobs will be executed) 4) dependencies on jobs that will not be executed (due to RESTART or MAX_JOBS_PER_GROUP) are ignored. Additionally, note that, on some file systems, output (restart) files might not be immediately available on all compute nodes,potentially resulting in unexpected failures.
This optional keyword expects a list of integers


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