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Commit 866e9134 authored by Wuttke, Joachim's avatar Wuttke, Joachim
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devtools: rm MPI scripts

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devtools/mpi/pytests/mpi_cpp_test.py deleted 100644 → 0
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View file @ 06c790a1
# Mixture of cylinders and prisms without interference
from mpi4py import MPI # this line has to be first
import numpy
import matplotlib
import pylab
from libBornAgainCore import *
comm = MPI.COMM_WORLD
world_size = comm.Get_size()
world_rank = comm.Get_rank()
def get_sample():
"""
Build and return the sample representing cylinders and pyramids on top of
substrate without interference.
"""
# defining materials
m_air = HomogeneousMaterial("Air", 0.0, 0.0)
m_substrate = HomogeneousMaterial("Substrate", 6e-6, 2e-8)
m_particle = HomogeneousMaterial("Particle", 6e-4, 2e-8)
# collection of particles
cylinder_ff = FormFactorCylinder(5*nanometer, 5*nanometer)
cylinder = Particle(m_particle, cylinder_ff)
prism_ff = FormFactorPrism3(10*nanometer, 5*nanometer)
prism = Particle(m_particle, prism_ff)
particle_layout = ParticleLayout()
particle_layout.addParticle(cylinder, 0.5)
particle_layout.addParticle(prism, 0.5)
# air layer with particles and substrate form multi layer
air_layer = Layer(m_air)
air_layer.addLayout(particle_layout)
substrate_layer = Layer(m_substrate)
multi_layer = MultiLayer()
multi_layer.addLayer(air_layer)
multi_layer.addLayer(substrate_layer)
return multi_layer
def get_simulation():
"""
Create and return GISAS simulation with beam and detector defined
"""
simulation = GISASSimulation()
simulation.setDetectorParameters(100, -1.0*degree, 1.0*degree, 100, 0.0*degree, 2.0*degree)
simulation.setBeamParameters(1.0*angstrom, 0.2*degree, 0.0*degree)
sample = get_sample()
simulation.setSample(sample)
return simulation
def run_simulation():
"""
Run simulation and plot results
"""
simulation = get_simulation()
if(world_size == 1):
print("Not an MPI environment, run with 'mpirun -n 4 python ompi_sim_example.py'")
exit(0)
simulation.runMPISimulation()
if(world_rank == 0):
sumresult = simulation.result().array()
print(sumresult)
# pylab.imshow(sumresult + 1, norm=matplotlib.colors.LogNorm(), extent=[-1.0, 1.0, 0, 2.0])
# pylab.show()
if __name__ == '__main__':
run_simulation()
devtools/mpi/pytests/mpi_test.py deleted 100644 → 0
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− 103
View file @ 06c790a1
# Mixture of cylinders and prisms without interference (IsGISAXS example ex-1)
from mpi4py import MPI # this line has to be first
import numpy
import matplotlib
import pylab
from libBornAgainCore import *
comm = MPI.COMM_WORLD
world_size = comm.Get_size()
world_rank = comm.Get_rank()
def get_sample():
"""
Build and return the sample representing cylinders and pyramids on top of
substrate without interference.
"""
# defining materials
m_air = HomogeneousMaterial("Air", 0.0, 0.0)
m_substrate = HomogeneousMaterial("Substrate", 6e-6, 2e-8)
m_particle = HomogeneousMaterial("Particle", 6e-4, 2e-8)
# collection of particles
cylinder_ff = FormFactorCylinder(5*nanometer, 5*nanometer)
cylinder = Particle(m_particle, cylinder_ff)
prism_ff = FormFactorPrism3(10*nanometer, 5*nanometer)
prism = Particle(m_particle, prism_ff)
particle_layout = ParticleLayout()
particle_layout.addParticle(cylinder, 0.5)
particle_layout.addParticle(prism, 0.5)
# air layer with particles and substrate form multi layer
air_layer = Layer(m_air)
air_layer.addLayout(particle_layout)
substrate_layer = Layer(m_substrate)
multi_layer = MultiLayer()
multi_layer.addLayer(air_layer)
multi_layer.addLayer(substrate_layer)
return multi_layer
def get_simulation():
"""
Create and return GISAXS simulation with beam and detector defined
"""
simulation = GISASSimulation()
simulation.setDetectorParameters(100, -1.0*degree, 1.0*degree, 100, 0.0*degree, 2.0*degree)
simulation.setBeamParameters(1.0*angstrom, 0.2*degree, 0.0*degree)
sample = get_sample()
simulation.setSample(sample)
return simulation
def run_simulation():
"""
Run simulation and plot results
"""
simulation = get_simulation()
if(world_size == 1):
print("Not a MPI environment, run with 'mpirun -n 4 python ompi_sim_example.py'")
exit(0)
if(world_rank != 0):
options = simulation.getOptions()
thread_info = ThreadInfo()
thread_info.n_threads = options.getNumberOfThreads()
thread_info.n_batches = world_size - 1
thread_info.current_batch = world_rank - 1
options.setThreadInfo(thread_info)
simulation.setOptions(options)
print("preparing to run ", thread_info.n_batches, thread_info.current_batch)
simulation.runSimulation()
print("preparing to send")
comm.Send(simulation.result().array(), 0)
if(world_rank == 0):
sumresult = simulation.result().array()
print(sumresult)
sumresult = numpy.zeros(sumresult.shape)
print(sumresult)
print("preparing to receive")
for i_proc in range(1, world_size):
print(" ... receiving", i_proc)
result = numpy.zeros(sumresult.shape)
comm.Recv(result, i_proc)
sumresult += result
print(sumresult)
if(world_rank == 0):
print(sumresult)
# pylab.imshow(sumresult + 1, norm=matplotlib.colors.LogNorm(), extent=[-1.0, 1.0, 0, 2.0])
# pylab.show()
if __name__ == '__main__':
run_simulation()
devtools/mpi/pytests/version.py deleted 100644 → 0
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View file @ 06c790a1
import sys
print(sys.version)
devtools/mpi/supermuc.sh deleted 100644 → 0
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− 17
View file @ 06c790a1
# Setup for BornAgain compilation at SuperMUC LRZ cluster
module load git
module load gcc/4.7
module load cmake/2.8
module load fftw/mpi/3.3
module load gsl
#module load python/2.7_anaconda
export LD_LIBRARY_PATH=/home/hpc/pr87me/di29sok/software/boost_1_55_0.gcc47/lib:$LD_LIBRARY_PATH
export FFTW3=$FFTW_BASE
export GSL_DIR=$GSL_BASE
export BOOST_ROOT=/home/hpc/pr87me/di29sok/software/boost_1_55_0.gcc47
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