Python script

GW parallel tutorial

parse_yambo.py

#! /usr/bin/env python3
import sys
def parse_report(file_report):
  #
  parse_timing=False
  outd={}
  outd["parallel_structure"]=""
  outd["mpi_tasks"]=1
  outd["openmp_tasks"]=1
  outd["ncores"]=1
  outd["completed"]=False
  #
  fl=open(file_report,"r")
  #print ("parsing "+file_report)
  #
  for line in fl:
    #
    # versioning
    #
    if "Version" in line:
      s=line.split()
      outd["version"]=s[s.index("Version")+1]
    if "Revision" in line:
      s=line.split()
      outd["revision"]=s[s.index("Revision")+1]
    if "Hash" in line:
      s=line.split()
      outd["hash"]=s[s.index("Hash")+1]
    #
    # parallel data
    #
    if "CPU-Threads" in line:
      outd["parallel_structure"]=outd["parallel_structure"]+" " \
                                 +line.split(":")[1].replace("\n"," ")
    if "MPI CPU" in line:
      outd["mpi_tasks"]=int(line.split(":")[-1])
    if "THREADS   " in line:
      outd["openmp_threads"]=int(line.split(":")[-1])
    if "THREADS TOT(max)" in line:
      outd["ncores"]=int(line.split(":")[-1])
    #
    # timing
    #
    if "Timing Overview" in line: parse_timing=True
    if "| The users of YAMBO have little formal obligations " in line:
        parse_timing=False
        outd["completed"]=True
    #
    if parse_timing and "Timing  " in line:
      outd["wall_time"] = line.split(":")[1].split("/")[0].replace("-","")
    if parse_timing and "io_WF" in line:
      outd["io_WF_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "io_HF" in line:
      outd["io_HF_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "io_DIPOLES" in line:
      outd["io_DIPOLES_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "io_X" in line:
      outd["io_X_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "RIM" in line:
      outd["RIM_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "Coulomb Cutoff" in line:
      outd["cutoff_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "Dipoles" in line:
      outd["dipoles_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "Xo (procedure)" in line:
      outd["Xo_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "Xo (REDUX)" in line:
      outd["Xo_REDUX_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "X (procedure)" in line:
      outd["X_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "X (REDUX)" in line:
      outd["X_REDUX_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "LINEAR ALGEBRA" in line:
      outd["LinAlG_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and " HF " in line:
      outd["HF_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "HF(REDUX)" in line:
      outd["HF_REDUX_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "GW(ppa)" in line:
      outd["GW_time"] = line.split(":")[1].split("CPU")[0]
    if parse_timing and "GW(REDUX)" in line:
      outd["GW_REDUX_time"] = line.split(":")[1].split("CPU")[0]
  fl.close()
  clean_parsed_data(outd)
  #
  return outd
def clean_parsed_data(outd):
  #
  for key in outd:
    val=outd[key]
    if isinstance(val,str):
       val=val.replace(" ","")
       outd[key]=val
def print_parsed_data(outd,datafile=None):
   print()
   if datafile != None:
      print(" %20s : %s " % ("file", str(datafile)))
   #
   for key in outd:
      print(" %20s : %s " % (key, str(outd[key])) )
   print()
def formatter(val,maxfield=12):
   sval=str(val)
   return " "*(maxfield-len(sval))+sval
def print_perfGW_data(outd=None):
   #
   if outd==None:
      strout ="# ncores"
      strout+=formatter("MPI")
      strout+=formatter("threads")
      strout+=formatter("io_WF")
      strout+=formatter("Dipoles")
      strout+=formatter("Xo")
      strout+=formatter("Xo(REDUX)")
      strout+=formatter("X")
      strout+=formatter("Sgm_x")
      strout+=formatter("(REDUX)")
      strout+=formatter("Sgm_c")
      strout+=formatter("(REDUX)")
      strout+=formatter("WALL_TIME")
      print(strout)
      return
   strout = formatter(outd["ncores"],len("# ncores"))
   strout+= formatter(outd["mpi_tasks"])
   strout+= formatter(outd["openmp_threads"])
   if not outd["completed"]:
      print(strout)
      return
   strout+= formatter(outd["io_WF_time"])
   strout+= formatter(outd["dipoles_time"])
   strout+= formatter(outd["Xo_time"])
   strout+= formatter(outd["Xo_REDUX_time"])
   strout+= formatter(outd["X_time"])
   strout+= formatter(outd["HF_time"])
   strout+= formatter(outd["HF_REDUX_time"])
   strout+= formatter(outd["GW_time"])
   strout+= formatter(outd["GW_REDUX_time"])
   strout+= formatter(outd["wall_time"])
   print(strout)
   return
def main(argv):
  #
  usage_str=
 Usage parse_Yambo.py  [-h,--help] [-a, --all]  file1 file2...

  #
  verbose=False
  #
  if len(argv) == 1:
    print(usage_str)
    sys.exit(1)
  if argv[1]=="-h" or argv[1]=="--help":
    print(usage_str)
    sys.exit(0)
  if argv[1]=="-a" or argv[1]=="--all":
    argv.pop(1)
    verbose=True
  #
  if not verbose:  print_perfGW_data()
  #
  flist=argv
  for f in flist[1:]:
    #
    outd=parse_report(f)
    #
    if verbose:
       print_parsed_data(outd,datafile=f)
    else:
       print_perfGW_data(outd)
if __name__ == "__main__":
  main(sys.argv)