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cpc.lib.gromacs.tune Namespace Reference

Classes

class  GromacsError
 

Functions

def primefactors
 
def tryRun
 
def tune
 

Variables

tuple log = logging.getLogger('cpc.lib.gromacs.tune')
 

Function Documentation

def cpc.lib.gromacs.tune.primefactors (   x)
Return a list with all prime factors of a number.
def cpc.lib.gromacs.tune.tryRun (   tprFile,
  runDir,
  Ncores 
)
Try to run mdrun with Ncores cores.
def cpc.lib.gromacs.tune.tune (   rsrc,
  confFile,
  tprFile,
  testRunDir,
  Nmax = None 
)
Set max. run based on configuration file.

Variable Documentation

tuple cpc.lib.gromacs.tune.log = logging.getLogger('cpc.lib.gromacs.tune')