[modeller_usage] my automodel run well serial, but molpdf is inmediatly exceeded when run in parallel

[Mario Bianchet <>]

Hello All

The script below exceeds molpdf limits immediately when run this automodel job on parallel,
 but run starts with a  low molpdf and ends well when commenting the line "a.use_parallel_job(j)"
Any hint of how to solve will be appreciate?
Mario

from modelito import MyModel
from modeller.parallel import *
icycle=50
log.minimal()    # request minimal output
env = Environ()  # create a new MODELLER environment to build this model in
icycle=str(int(icycle)+1)
# directories for input atom files
env.io.atom_files_directory = ['.', 'trajs/']
# Give less weight to all soft-sphere restraints:
env.schedule_scale = physical.values(default=1.0, soft_sphere=0.7)
# Very thorough VTFM optimization:

j = Job()
for i in range(1):
    j.append(local_slave())

# Comparative modeling by the AutoModel class
env.io.hetatm=True
a = MyModel(env,
              alnfile  = 'test.ali',     # alignment filename
              knowns   = ('ro','odo'),     # codes of the templates
              sequence = 'TEST')              # code of the target
a.starting_model= int(icycle)                # index of the first model
a.ending_model  = int(icycle)+ 0              # index of the last model
                                    # (determines how many models to calculate)
a.library_schedule = autosched.slow
#a.restraints.write(file='restraints.rsr')
# Thorough MD optimization:
a.md_level = refine.slow
# Repeat the whole cycle 2 times and do not stop unless obj.func. > 1E6
a.use_parallel_job(j)
a.repeat_optimization = 3
a.max_molpdf = 1e6
a.make()                         # do the actual comparative modeling