def diffract(parameters):
"""
Calculate all the diffraction patterns based on the parameters provided as a dictionary.
Save all results in one single file. Not used in MPI.
:param parameters: dictionary of command line arguments
"""
pmi_start_id = int(parameters['pmiStartID'])
pmi_end_id = int(parameters['pmiEndID'])
num_dp = int(parameters['numDP'])
ntasks = (pmi_end_id - pmi_start_id + 1) * num_dp
rotation_axis = parameters['rotationAxis']
uniform_rotation = parameters['uniformRotation']
myquaternions = generate_rotations(uniform_rotation, rotation_axis, ntasks)
output_name = parameters['outputDir'] + '/diffr_out_0000001.h5'
if os.path.exists(output_name):
os.remove(output_name)
pu.prep_h5(output_name)
for ntask in range(ntasks):
make_one_diffr(myquaternions, ntask, parameters, output_name)
def master_diffract(comm, parameters):
"""
Master node. Get the diffraction patterns with mpi
:param comm: MPI comm
:param parameters: dictionary of command line arguments
:return:
"""
pmi_start_id = int(parameters['pmiStartID'])
pmi_end_id = int(parameters['pmiEndID'])
num_dp = int(parameters['numDP'])
# Number of processes
num_process = comm.Get_size()
ntasks = (pmi_end_id - pmi_start_id + 1) * num_dp
if num_process == 1:
rotation_axis = parameters['rotationAxis']
uniform_rotation = parameters['uniformRotation']
my_quaternion = generate_rotations(uniform_rotation, rotation_axis,
ntasks)
output_name = parameters['outputDir'] + '/diffr_out_0000001.h5'
if os.path.exists(output_name):
os.remove(output_name)
pu.prep_h5(output_name)
for ntask in range(ntasks):
make_one_diffr(my_quaternion, ntask, parameters, output_name)
else:
for ntask in range(ntasks):
status = MPI.Status()
# Waiting for messages from slave
# Successful message reciving means slave is ready for simulation
comm.recv(source=MPI.ANY_SOURCE, tag=1, status=status)
rnk = status.Get_source()
# Trigger calculation on slave.
comm.send(ntask, dest=rnk)
# Final send: stop all processes from waiting for tasks
for process in range(1, num_process):
comm.send(-1, dest=process)
def slave_diffract(comm, parameters):
"""
Slave node. Get the diffraction patterns with mpi
:param comm: MPI comm
:param parameters: dictionary of command line arguments
:return:
"""
pmi_start_id = int(parameters['pmiStartID'])
pmi_end_id = int(parameters['pmiEndID'])
num_dp = int(parameters['numDP'])
ntasks = (pmi_end_id - pmi_start_id + 1) * num_dp
rotation_axis = parameters['rotationAxis']
uniform_rotation = parameters['uniformRotation']
my_quaternion = generate_rotations(uniform_rotation, rotation_axis, ntasks)
# Setup output file
output_name = parameters['outputDir'] + '/diffr_out_' + '{0:07}'.format(
comm.Get_rank()) + '.h5'
if os.path.exists(output_name):
os.remove(output_name)
pu.prep_h5(output_name)
# Init a local counter
counter = 0
# Wave to master, we're good to go.
comm.send(counter, dest=0, tag=1)
# Start event loop and generate the diffraction images.
while True:
counter = comm.recv(source=0)
if counter < 0:
# end of simulation
return None
make_one_diffr(my_quaternion, counter, parameters, output_name)
# Show master we're ready for another task
comm.send(counter, dest=0, tag=1)