old_contents: __author__ = 'vivek'
  
  '''
  Purpose :   This file is used to perform the selection + reweighting step required
              after the LSDMap stage to generate the new coordinate file. This file
              also splits this new coordinate file to be used by each of the compute
              units in the next iteration.
  
  Arguments : num_runs        = number of initial configurations in the coordinate file
              evfile          = name of the eigen vector file
              num_clone_files = name of the clone file
              md_output_file  = output file of the pre_analyze step
              w_file          = name of the weight file
              outgrofile_name = filename of the output of select+reweight
              cycle           = current iteration number
              numCUs          = number of simulation instances
  
  '''
  
  
  import os
  import sys
  
  if __name__ =='__main__':
      num_runs = int(sys.argv[1])
      evfile = sys.argv[2]
      num_clone_files = sys.argv[3]
      md_output_file = sys.argv[4]
      nearest_neighbor_file = sys.argv[5]
      w_file = sys.argv[6]
      outgrofile_name = sys.argv[7]
      max_alive_neighbors = int(sys.argv[8])
      max_dead_neighbors = int(sys.argv[9])
      md_input_file = sys.argv[10]
      cycle = int(sys.argv[11])
      numCUs = int(sys.argv[12])
  
      os.system('python select.py %s -s %s -o %s' %(num_runs,evfile,num_clone_files))
      #Update Boltzman weights
  
      try:
          #Remove old weight file
          os.remove('weight.w')
  
          #Rename new weight file
          os.rename('weight_new.w','weight.w')
  
      except:
          pass
  
      os.system('python reweighting.py -c %s -n %s -s %s -w %s -o %s --max_alive_neighbors=%s --max_dead_neighbors=%s' % (md_output_file,nearest_neighbor_file,num_clone_files,w_file,outgrofile_name,max_alive_neighbors,max_dead_neighbors))
  
      os.system('python spliter.py {0} {1}'.format(numCUs,outgrofile_name))
  
  
new_contents: __author__ = 'vivek'
  
  '''
  Purpose :   This file is used to perform the selection + reweighting step required
              after the LSDMap stage to generate the new coordinate file. This file
              also splits this new coordinate file to be used by each of the compute
              units in the next iteration.
  
  Arguments : num_runs        = number of initial configurations in the coordinate file
              evfile          = name of the eigen vector file
              num_clone_files = name of the clone file
              md_output_file  = output file of the pre_analyze step
              w_file          = name of the weight file
              outgrofile_name = filename of the output of select+reweight
              cycle           = current iteration number
              numCUs          = number of simulation instances
  
  '''
  
  
  import os
  import sys
  
  if __name__ =='__main__':
      num_runs = int(sys.argv[1])
      evfile = sys.argv[2]
      num_clone_files = sys.argv[3]
      md_output_file = sys.argv[4]
      nearest_neighbor_file = sys.argv[5]
      w_file = sys.argv[6]
      outgrofile_name = sys.argv[7]
      max_alive_neighbors = int(sys.argv[8])
      max_dead_neighbors = int(sys.argv[9])
      md_input_file = sys.argv[10]
      cycle = int(sys.argv[11])
      numCUs = int(sys.argv[12])
  
      os.system('python selection.py %s -s %s -o %s' %(num_runs,evfile,num_clone_files))
      #Update Boltzman weights
  
      try:
          #Remove old weight file
          os.remove('weight.w')
  
          #Rename new weight file
          os.rename('weight_new.w','weight.w')
  
      except:
          pass
  
      os.system('python reweighting.py -c %s -n %s -s %s -w %s -o %s --max_alive_neighbors=%s --max_dead_neighbors=%s' % (md_output_file,nearest_neighbor_file,num_clone_files,w_file,outgrofile_name,max_alive_neighbors,max_dead_neighbors))
  
      os.system('python spliter.py {0} {1}'.format(numCUs,outgrofile_name))
  
  
subject: select to selection