Package gromacs :: Module run :: Class MDrunnerMpich2Smpd

Class MDrunnerMpich2Smpd

         object --+        
                  |        
utilities.FileUtils --+    
                      |    
               MDrunner --+
                          |
                         MDrunnerMpich2Smpd

Manage running :program:`mdrun` as mpich2_ multiprocessor job with the SMPD mechanism.

.. _mpich2: http://www.mcs.anl.gov/research/projects/mpich2/

Instance Methods

[hide private]

prehook(self, **kwargs)
Launch local smpd.

source code

posthook(self, **kwargs)
Shut down smpd

source code

Inherited from MDrunner: __init__, check_success, commandline, mpicommand, run, run_check

Inherited from utilities.FileUtils: __repr__, check_file_exists, filename, infix_filename

Inherited from utilities.FileUtils (private): _init_filename

Inherited from object: __delattr__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __setattr__, __str__

Class Variables

[hide private]

mdrun = 'mdrun_mpich2'
path to the :program:`mdrun` executable (or the name if it can be found on :envvar:`PATH`)

mpiexec = 'mpiexec'
path to the MPI launcher (e.g.

Inherited from utilities.FileUtils: default_extension

Instance Variables

[hide private]

Inherited from utilities.FileUtils: real_filename

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

prehook(self, **kwargs)

source code

Launch local smpd.

Overrides: MDrunner.prehook

posthook(self, **kwargs)

source code

Shut down smpd

Overrides: MDrunner.posthook