A script for generating WMP library from ENDF/BVIII.0

run_wmp_8.0.py

import os
import sys
import glob
import time
from multiprocessing import Pool
from contextlib import redirect_stdout

import openmc.data

neutron_dir = '/home/jingang/nucdata/ENDF-B-VIII.0/neutrons/'
endf_files = [i for i in glob.glob(os.path.join(neutron_dir, "*.endf")) if os.path.isfile(i)]
out_dir = "WMP_Lib_8.0"

print("Start processing {} nuclides - {}".format(len(endf_files), time.ctime()))

def process(endf_file):
    nuc_name = (openmc.data.IncidentNeutron.from_endf(endf_file)).name
    path_out = os.path.join(out_dir, nuc_name)
    if not os.path.exists(path_out):
        os.makedirs(path_out)

    # print message
    print("Processing {} - {} {} ".format(endf_file, nuc_name, time.ctime()))

    # run wmp
    time_start = time.time()
    wmp_file = os.path.join(out_dir, nuc_name+".h5")
    try:
        if os.path.isfile(wmp_file):
            print('Done. {}  time={:.1f} s'.format(nuc_name, time.time()-time_start))
        else:
            # initial tolenrance
            rtol = 1e-3
            mp_file = os.path.join(path_out, nuc_name+"_mp.pickle")
            if not os.path.isfile(mp_file):
                with open(os.path.join(path_out, nuc_name+".log"),'w') as f:
                    with redirect_stdout(f):
                        try:
                            nuc = openmc.data.WindowedMultipole.from_endf(endf_file,
                                   vf_options={"rtol": rtol, "path_out": path_out}, 
                                   wmp_options={"search": True, "rtol": rtol})
                        except:
                            print('Broken 1. {} {:.1f} s'.format(nuc_name, time.time()-time_start))
                            # relax tolenrance
                            rtol = 5e-3
                            nuc = openmc.data.WindowedMultipole.from_endf(endf_file, log=True,
                                   vf_options={"rtol": rtol, "path_out": path_out}, 
                                   wmp_options={"search": True, "rtol": rtol})
            else:
                with open(os.path.join(path_out, nuc_name+"_windowing.log"),'w') as f:
                    with redirect_stdout(f):
                        try:
                            nuc = openmc.data.WindowedMultipole.from_multipole(mp_file, search=True, log=True, rtol=rtol)
                        except:
                            print('Broken 1. {} {:.1f} s'.format(nuc_name, time.time()-time_start))
                            # relax tolenrance
                            rtol = 5e-3
                            try:
                                nuc = openmc.data.WindowedMultipole.from_multipole(mp_file, search=True, log=True, rtol=rtol)
                            except:
                                print('Broken 2. {} {:.1f} s'.format(nuc_name, time.time()-time_start))
                                # relax tolenrance
                                rtol = 1e-2
                                try:
                                    nuc = openmc.data.WindowedMultipole.from_multipole(mp_file, search=True, log=2, rtol=rtol)
                                except:
                                    # Ar38
                                    print('Broken 3. {} {:.1f} s'.format(nuc_name, time.time()-time_start))
                                    # relax tolenrance
                                    rtol = 5e-2
                                    nuc = openmc.data.WindowedMultipole.from_multipole(mp_file, search=True, log=2, rtol=rtol)
            nuc.export_to_hdf5(wmp_file)
            print('Done. {}  time={:.1f} s  rtol={:.1e}'.format(nuc_name, time.time()-time_start, rtol))
    except:
        print('Failed. {}  time={:.1f} s  rtol={:.1e}'.format(nuc_name, time.time()-time_start, rtol))

    sys.stdout.flush()


with Pool(16) as p:
   p.map(process, endf_files)

print("Finish processing all nuclides - {}".format(time.ctime()))

Note:

• B10 needs to be processed manually because openmc.data fails reading B10 ace file produced by NJOY.