Add test case for parallel SPHERE

.gitlab-ci.yml

@@ -236,19 +236,25 @@ running_stage:
       - cd build/libnptm
       - export LD_LIBRARY_PATH="$LD_LIBRARY_PATH;$PWD"
       - cd ../sphere
-      - echo "Testing configurator for sphere"
+      - echo "Testing configurator for SPHERE"
       - ../../src/scripts/model_maker.py ../../test_data/sphere/config_dev.yml
       - echo "Running np_sphere"
       - chmod +x np_sphere
       - OMP_NUM_THREADS=1 ./np_sphere DEDFB DSPH .
+      - mv c_OSPH c_OSPH_dev
+      - echo "Testing parallel execution of SPHERE"
+      - ../../src/scripts/model_maker.py ../../test_data/sphere/config_181_xi.yml
+      - echo "Running parallel np_sphere"
+      - OMP_NUM_THREADS=2 ./np_sphere DEDFB_181_xi DSPH_181_xi .
+      - mv c_OSPH c_OSPH_181_xi
       - cd ../cluster
-      - echo "Testing configurator for cluster"
+      - echo "Testing configurator for CLUSTER"
       - ../../src/scripts/model_maker.py ../../test_data/cluster/config_dev.yml
       - echo "Running np_cluster"
       - chmod +x np_cluster
       - OMP_NUM_THREADS=1 ./np_cluster DEDFB DCLU .
       - cd ../inclusion
-      - echo "Testing configurator for inclusion"
+      - echo "Testing configurator for INCLUSION"
       - ../../src/scripts/model_maker.py ../../test_data/inclusion/config_dev.yml
       - echo "Running np_inclusion"
       - chmod +x np_inclusion
@@ -282,9 +288,12 @@ testing_stage:
       - cd build/libnptm
       - export LD_LIBRARY_PATH="$LD_LIBRARY_PATH;$PWD"
       - cd ../sphere
-      - export FFILE=../../test_data/sphere/OSPH
       - echo "Comparing output of SPHERE"
-      - python3 ../../src/scripts/pycompare.py --no-progress --ffile $FFILE --cfile c_OSPH --html
+      - export FFILE=../../test_data/sphere/OSPH
+      - python3 ../../src/scripts/pycompare.py --no-progress --ffile $FFILE --cfile c_OSPH_dev --html
+      - echo "Comparing output of parallel SPHERE"
+      - export FFILE=../../test_data/sphere/OSPH_181_xi
+      - python3 ../../src/scripts/pycompare.py --no-progress --ffile $FFILE --cfile c_OSPH_181_xi --html
       - echo "Checking consistency among legacy and HDF5 configuration files"
       - ../testing/test_TEDF ../../test_data/sphere/DEDFB c_TEDF c_TEDF.hd5
       - cd ../inclusion
@@ -316,7 +325,7 @@ testing_stage:
       - export FFILE=../../test_data/cluster/OCLU_24
       - python3 ../../src/scripts/pycompare.py --no-progress --ffile $FFILE --cfile c_OCLU_24
       - rm -rf c_OCLU_24
-      - echo "Checking consistency of HDF5 incluson output"
+      - echo "Checking consistency of HDF5 inclusion output"
       - chmod u+x test_inclusion_outputs
       - ./test_inclusion_outputs
       - export FFILE=../../test_data/inclusion/OINCLU

test_data/sphere/config_181_xi.yml

+system_settings:
+  # Limit on host RAM use in Gb (0 for no configuration limit)
+  max_host_ram : 0
+  # Limit on GPU RAM use in Gb ( 0 for no configuration limit)
+  max_gpu_ram  : 0
+
+input_settings:
+  # Folder to write the code input configuration files
+  input_folder : "."
+  # Name of the scatterer description file
+  spheres_file : "DEDFB_181_xi"
+  # Name of the geometry description file
+  geometry_file: "DSPH_181_xi"
+  
+output_settings:
+  # Folder for the code output storage
+  output_folder: "."
+  # Name of the main output file
+  output_name  : "c_OSPH"
+  # Requested output formats
+  formats      : [ "LEGACY", "HDF5" ]
+  # Index of the scale for transition matrix output
+  jwtm         : 1
+
+particle_settings:
+  # What application to use (SPHERE | CLUSTER | INCLUSION)
+  application : "SPHERE"
+  # Number of spheres
+  n_spheres   : 1
+  # Number of sphere types
+  n_types     : 1
+  # Vector of sphere type identifiers (what type is each sphere)
+  sph_types   : [ 1 ]
+  # Vector of layers in types (how many layers in each type)
+  n_layers    : [ 2 ]
+  # Spherical monomer radii in m (one size for each type)
+  radii       : [ 9.085603e-8 ]
+  # Layer fractional radii (one per layer in each type)
+  rad_frac    : [ [ 0.5, 1.0 ] ]
+  # Index of the dielectric constants (one per layer in each type)
+  #
+  # 1 is first file in `dielec_file`, 2 is second ...
+  dielec_id   : [ [ 1, 2 ] ]
+
+material_settings:
+  diel_flag   : 0
+  # External medium dielectric constant
+  extern_diel : 1.00e+00
+  # Dielectric constant files folder
+  dielec_path : "../../ref_data"
+  # List of dielectric constant files (used if diel_flag = 0)
+  dielec_file : [ "eps_draine_Si.csv", "eps_ashok_C.csv" ]
+  # Dielectric constant files format (same for all files)
+  dielec_fmt  : [ "CSV" ]
+  # Matching method between optical constants and radiation wavelengths
+  #
+  # INTERPOLATE: the constants are interpolated on wavelengths
+  # GRID: only the wavelengths with defined constants are computed
+  #
+  match_mode  : "INTERPOLATE"
+  # Reference dielectric constants (used if diel_flag = -1)
+  #
+  # One real and one imaginary part for each layer in each type.
+  diel_const  : [ ]
+
+radiation_settings:
+  # Radiation field polarization (LINEAR | CIRCULAR)
+  polarization: "LINEAR"
+  # First scale to be used
+  scale_start : 1.00e-07
+  # Last scale to be used
+  scale_end   : 1.00e-06
+  # Calculation step (overridden if `match_mode` is GRID)
+  scale_step  : 5.00e-09
+  # Peak Omega
+  wp          : 3.00e+08
+  # Peak scale
+  xip         : 1.00e+00
+  # Define scale explicitly (0) or in equal steps (1)
+  step_flag   : 0
+  # Type of scaling variable
+  scale_name  : "WAVELENGTH"
+
+geometry_settings:
+  # Maximum internal field expansion
+  li          : 4
+  # Maximum external field expansion (not used by SPHERE)
+  le          : 8
+  # Number of transition layer integration points
+  npnt        : 149
+  # Number of non transition layer integration points
+  npntts      : 300
+  # Averaging mode
+  iavm        : 0
+  # Meridional plane flag
+  isam        : 0
+  # Starting incidence azimuth angle
+  in_th_start : 0.0
+  # Incidence azimuth angle incremental step
+  in_th_step  : 0.0
+  # Ending incidence azimuth angle
+  in_th_end   : 0.0
+  # Starting incidence elevation angle
+  in_ph_start : 0.0
+  # Incidence elevation angle incremental step
+  in_ph_step  : 0.0
+  # Ending incidence elevation angle
+  in_ph_end   : 0.0
+  # Starting scattered azimuth angle
+  sc_th_start : 0.0
+  # Scattered azimuth angle incremental step
+  sc_th_step  : 0.0
+  # Ending scattered azimuth angle
+  sc_th_end   : 0.0
+  # Starting scattered elevation angle
+  sc_ph_start : 0.0
+  # Scattered elevation angle incremental step
+  sc_ph_step  : 0.0
+  # Ending scattered elevation angle
+  sc_ph_end   : 0.0
+  # Vector of sphere X coordinates (one per sphere or empty for random)
+  x_coords    : [ ]
+  # Vector of sphere Y coordinates (one per sphere or empty for random)
+  y_coords    : [ ]
+  # Vector of sphere Z coordinates (one per sphere or empty for random)
+  z_coords    : [ ]