jobqueues.lsfqueue module#

class jobqueues.lsfqueue.LsfQueue(_configapp=None, _configfile=None, _findExecutables=True, _logger=True)#

Bases: SimQueue

Queue system for LSF

  • version ([9, 10], int, default=9) – LSF major version

  • jobname (str, default=None) – Job name (identifier)

  • queue (list, default=None) – The queue or list of queues to run on. If list, it attempts to submit the job to the first queue listed

  • app (str, default=None) – The application profile

  • ngpu (int, default=1) – Number of GPUs to use for a single job

  • gpu_options (dict, default=None) – Number of GPUs to use for a single job (valid dict entries: {‘mode’: <’shared’ or ‘exclusive_process’>}, {‘mps’: <’yes’ or ‘no’>}, {‘j_exclusive’: <’yes’ or ‘no’>})

  • ncpu (int, default=1) – Number of CPUs to use for a single job

  • memory (int, default=4000000) – Amount of memory per job (KB)

  • walltime (int, default=None) – Job timeout (hour:min or min)

  • resources (list, default=None) – Resources of the queue

  • outputstream (str, default='lsf.%J.out') – Output stream.

  • errorstream (str, default='lsf.%J.err') – Error stream.

  • datadir (str, default=None) – The path in which to store completed trajectories.

  • trajext (str, default='xtc') – Extension of trajectory files. This is needed to copy them to datadir.

  • envvars (str, default='ACEMD_HOME') – Envvars to propagate from submission node to the running node (comma-separated)

  • prerun (list, default=None) – Shell commands to execute on the running node before the job (e.g. loading modules)


>>> s = LsfQueue()
>>> s.jobname = 'simulation1'
>>> s.queue = 'multiscale'
>>> s.submit('/my/runnable/folder/')  # Folder containing a bash script

Returns the sum of the number of running and queued workunits of the specific group in the engine.


total – Total running and queued workunits

Return type:


property memory#

Subclasses need to have this property. This property is expected to return a integer in MiB

property ncpu#

Subclasses need to have this property

property ngpu#

Subclasses need to have this property


Subclasses need to implement this method


Cancels all currently running and queued jobs

submit(dirs, commands=None)#

Submits all directories


dirs (list) – A list of executable directories.