def backengine(self):
""" Starts WPG simulations in parallel in a subprocess """
fname = IOUtilities.getTmpFileName()
self.dumpToFile(fname)
forcedMPIcommand = self.parameters.forced_mpi_command
if forcedMPIcommand == "":
(np, ncores) = self.computeNTasks()
mpicommand = ParallelUtilities.prepareMPICommandArguments(
np, ncores)
else:
mpicommand = forcedMPIcommand
if 'SIMEX_VERBOSE' in os.environ:
if 'MPI' in os.environ['SIMEX_VERBOSE']:
print(("WavePropagator backengine mpicommand: " + mpicommand))
if 'PYTHON' in os.environ['SIMEX_VERBOSE']:
import platform
print("Running python %s." % (platform.python_version()))
mpicommand += " python " + __file__ + " " + fname
args = shlex.split(mpicommand)
proc = subprocess.Popen(args, universal_newlines=True)
proc.wait()
os.remove(fname)
return proc.returncode
def backengine(self):
""" This method drives the backengine CrystFEL.pattern_sim."""
# pattern_sim backengine does not support MPI.
return self._run()
# collect MPI arguments
if self.parameters.forced_mpi_command == "":
np = self.computeNTasks()
mpicommand = ParallelUtilities.prepareMPICommandArguments(np)
else:
mpicommand = self.parameters.forced_mpi_command
# Dump to a temporary file.
fname = IOUtilities.getTmpFileName()
self.dumpToFile(fname)
mpicommand += " ".join([" ", sys.executable, __file__, fname])
args = shlex.split(mpicommand)
if 'SIMEX_VERBOSE' in os.environ and os.environ[
'SIMEX_VERBOSE'] == 'MPI':
print("MPI command: " + mpicommand)
try:
proc = subprocess.Popen(args, universal_newlines=True)
proc.wait()
except:
raise
finally:
os.remove(fname)
return proc.returncode
def backengine(self):
""" Starts EMC simulations in parallel in a subprocess """
# Set paths.
self._setupPaths()
fname = IOUtilities.getTmpFileName()
self.dumpToFile(fname)
# collect MPI arguments
if self.parameters.forced_mpi_command == "":
np = self.computeNTasks()
#mpicommand=ParallelUtilities.prepareMPICommandArguments(np)
mpicommand = ""
else:
mpicommand = self.parameters.forced_mpi_command
# collect program arguments
command_sequence = [
'python',
__file__,
fname,
]
# put MPI and program arguments together
args = shlex.split(mpicommand) + command_sequence
print(' '.join(args))
if 'SIMEX_VERBOSE' in os.environ:
if 'MPI' in os.environ['SIMEX_VERBOSE']:
print(("EMCOrientation backengine mpicommand: " + mpicommand))
print(' '.join(args))
if 'PYTHON' in os.environ['SIMEX_VERBOSE']:
import platform
print("Running python version %s." %
(platform.python_version()))
# Run the backengine command.
proc = subprocess.Popen(args)
proc.wait()
os.remove(fname)
# Return the return code from the backengine.
return proc.returncode
def _backengineWithPdb(self):
""" """
"""
Run the diffraction simulation if the sample is a pdb.
Codes is based on pysingfel/tests/test_particle.test_calFromPDB
"""
# Dump self to file.
fname = IOUtilities.getTmpFileName()
self.dumpToFile(fname)
# Setup the mpi call.
forcedMPIcommand = self.parameters.forced_mpi_command
if forcedMPIcommand == "" or forcedMPIcommand is None:
(np, ncores) = self.computeNTasks()
mpicommand = ParallelUtilities.prepareMPICommandArguments(
np, ncores)
else:
mpicommand = forcedMPIcommand
mpicommand += " ".join(("", sys.executable, __file__, fname))
if 'SIMEX_VERBOSE' in os.environ:
if 'MPI' in os.environ['SIMEX_VERBOSE']:
print(("SingFELPhotonDiffractor backengine mpicommand: " +
mpicommand))
# Launch the system command.
args = shlex.split(mpicommand)
with subprocess.Popen(args, universal_newlines=True) as proc:
out, err = proc.communicate()
# Remove the dumped class.
os.remove(fname)
return proc.returncode
