Section JOB

• description of the jobs to be executed

• Section path: CP2K_INPUT / FARMING / JOB

• This section can be repeated.

• Subsections

  • none

• Keywords

  • DEPENDENCIES
  • DIRECTORY
  • INPUT_FILE_NAME
  • JOB_ID
  • OUTPUT_FILE_NAME

• Keyword descriptions

  DEPENDENCIES
  	DEPENDENCIES {Integer} ...
  	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 keyword cannot be repeated and it expects a list of integers.

  DIRECTORY
  	DIRECTORY {String}
  	the directory in which the job should be executed
  	This keyword cannot be repeated and it expects precisely one string.
  	Default value: .

  INPUT_FILE_NAME
  	INPUT_FILE_NAME {String}
  	the filename of the input file
  	This keyword cannot be repeated and it expects precisely one string.
  	Default value: input.inp

  JOB_ID
  	JOB_ID {Integer}
  	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 keyword cannot be repeated and it expects precisely one integer.

  OUTPUT_FILE_NAME
  	OUTPUT_FILE_NAME {String}
  	the filename of the output file, if not specified will use the project name in the &GLOBAL section.
  	This keyword cannot be repeated and it expects precisely one string.