def __init__(self, adaptor_info, adaptor_options=[]): self._info = adaptor_info self._opts = adaptor_options self._name = adaptor_info['name'] self._lock = ru.RLock(self._name) self._logger = ru.get_logger('radical.enmd.{0}'.format(self._name)) self._reporter = ru.LogReporter( name='radical.enmd.{0}'.format(self._name))
import radical.pilot as rp import radical.utils as ru # import adaptive components from adaptivemd import OpenMMEngine, AllegroCluster, Brain, MDCluster, \ LocalResource, File, PyEMMAAnalysis import adaptivemd.misc as amp if __name__ == '__main__': verbose = os.environ.get('RADICAL_PILOT_VERBOSE', 'REPORT') # we use a reporter class for nicer output report = ru.LogReporter(name='radical.pilot', level=verbose) report.title('Getting Started (RP version %s)' % rp.version) # use the resource specified as argument, fall back to localhost resource_id = 'local.jhp' if len(sys.argv) > 2: report.exit('Usage:\t%s [resource]\n\n' % sys.argv[0]) exit() elif len(sys.argv) == 2: resource_id = sys.argv[1] # -------------------------------------------------------------------------- # CREATE THE RESOURCE # the instance to know about the place where we run simulations # --------------------------------------------------------------------------
import radical.pilot as rp import radical.utils as ru import CUDef import json # ------------------------------------------------------------------------------ # # READ the RADICAL-Pilot documentation: http://radicalpilot.readthedocs.org/ # # ------------------------------------------------------------------------------ #------------------------------------------------------------------------------ # if __name__ == '__main__': # we use a reporter class for nicer output report = ru.LogReporter(name='radical.pilot') report.title('Getting Started (RP version %s)' % rp.version) # use the resource specified as argument, fall back to localhost resource = "ornl.titan_ortelib" # Type of resource numCUs = 128 # Number of CUs numCores = 128 # Number of cores if len(sys.argv) == 1: print("Default paramters: 128 CUs and 128 cores") elif len(sys.argv) == 3: numCUs = int(sys.argv[1]) # Number of CUs numCores = int(sys.argv[2]) # Number of cores else: print("Help: python example.py <# CU> <# cores>") exit() if numCores > 128: