Section SWARM

• Section to control swarm runs. The swarm framework provides a common ground for master/worker algorithms.

• Section path: CP2K_INPUT / SWARM

• This section cannot be repeated.

• Subsections

  • GLOBAL_OPT
  • PRINT

• Keywords

  • BEHAVIOR
  • MAX_ITER
  • NUMBER_OF_WORKERS
  • REPLAY_COMMUNICATION_LOG

• Keyword descriptions

  BEHAVIOR
  	BEHAVIOR {Keyword}
  	Which behaviour should control the swarm.
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: GLOBAL_OPT
  	List of valid keywords: GLOBAL_OPT Runs global geometry optimisation

  MAX_ITER
  	MAX_ITER {Integer}
  	The maximum number iterations the master should perform
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 2147483647

  NUMBER_OF_WORKERS
  	NUMBER_OF_WORKERS {Integer}
  	Number of workers used for swarm. Of the total number of processors one is used for the master, the remaining processors should be divisible by the number of workers.
  	This keyword cannot be repeated and it expects precisely one integer.

  REPLAY_COMMUNICATION_LOG
  	REPLAY_COMMUNICATION_LOG {String}
  	Filename of communication log of previous run. Use this to restart a swarm.
  	This keyword cannot be repeated and it expects precisely one string.
  	Default value: swarm_translog_replay.xyz