aiida.execmanager documentation

Execution Manager

This file contains the main routines to submit, check and retrieve calculation results. These are general and contain only the main logic; where appropriate, the routines make reference to the suitable plugins for all plugin-specific operations.

aiida.execmanager.get_authinfo(computer, aiidauser)[source]
aiida.execmanager.retrieve_computed_for_authinfo(authinfo)[source]
aiida.execmanager.retrieve_jobs()[source]
aiida.execmanager.submit_calc(calc, authinfo, transport=None)[source]

Submit a calculation

Note:

if no transport is passed, a new transport is opened and then closed within this function. If you want to use an already opened transport, pass it as further parameter. In this case, the transport has to be already open, and must coincide with the transport of the the computer defined by the authinfo.

Parameters:
  • calc – the calculation to submit (an instance of the aiida.orm.JobCalculation class)
  • authinfo – the authinfo for this calculation.
  • transport – if passed, must be an already opened transport. No checks are done on the consistency of the given transport with the transport of the computer defined in the authinfo.
aiida.execmanager.submit_jobs()[source]

Submit all jobs in the TOSUBMIT state.

aiida.execmanager.submit_jobs_with_authinfo(authinfo)[source]

Submit jobs in TOSUBMIT status belonging to user and machine as defined in the ‘dbauthinfo’ table.

aiida.execmanager.update_jobs()[source]

calls an update for each set of pairs (machine, aiidauser)

aiida.execmanager.update_running_calcs_status(authinfo)[source]

Update the states of calculations in WITHSCHEDULER status belonging to user and machine as defined in the ‘dbauthinfo’ table.