Remove 1-core restriction for NSquare and HybridDecomposition + LB. (#…

…4676)
espressomd · Mar 1, 2023 · fc40ec8 · fc40ec8
2 parents e6fdd8a + 2e1e841
commit fc40ec8
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Showing 6 changed files with 3 additions and 38 deletions.
diff --git a/src/core/grid_based_algorithms/lb.cpp b/src/core/grid_based_algorithms/lb.cpp
@@ -616,13 +616,6 @@ void lb_sanity_checks(const LB_Parameters &lb_parameters) {
   if (lb_parameters.viscosity <= 0.0) {
     runtimeErrorMsg() << "Lattice Boltzmann fluid viscosity not set";
   }
-  if (local_geo.cell_structure_type() !=
-      CellStructureType::CELL_STRUCTURE_REGULAR) {
-    if (n_nodes > 1) {
-      runtimeErrorMsg() << "LB only works with regular decomposition, "
-                           "if using more than one MPI node";
-    }
-  }
 }
 
 uint64_t lb_fluid_get_rng_state() {

diff --git a/src/core/grid_based_algorithms/lb_particle_coupling.cpp b/src/core/grid_based_algorithms/lb_particle_coupling.cpp
@@ -284,15 +284,6 @@ void lb_lbcoupling_calc_particle_lattice_ia(bool couple_virtual,
 #endif
   } else if (lattice_switch == ActiveLB::CPU) {
     if (lb_particle_coupling.couple_to_md) {
-      bool using_regular_cell_structure =
-          (local_geo.cell_structure_type() ==
-           CellStructureType::CELL_STRUCTURE_REGULAR);
-      if (not using_regular_cell_structure) {
-        if (n_nodes > 1) {
-          throw std::runtime_error("LB only works with regular decomposition, "
-                                   "if using more than one MPI node");
-        }
-      }
       switch (lb_lbinterpolation_get_interpolation_order()) {
       case (InterpolationOrder::quadratic):
         throw std::runtime_error("The non-linear interpolation scheme is not "

diff --git a/testsuite/python/CMakeLists.txt b/testsuite/python/CMakeLists.txt
@@ -145,7 +145,7 @@ python_test(FILE dds-and-bh-gpu.py MAX_NUM_PROC 4 LABELS gpu)
 python_test(FILE electrostatic_interactions.py MAX_NUM_PROC 2)
 python_test(FILE engine_langevin.py MAX_NUM_PROC 4)
 python_test(FILE engine_lb.py MAX_NUM_PROC 2 LABELS gpu)
-python_test(FILE engine_lb.py MAX_NUM_PROC 1 LABELS gpu SUFFIX n_square)
+python_test(FILE engine_lb.py MAX_NUM_PROC 1 LABELS gpu SUFFIX 1_core)
 python_test(FILE icc.py MAX_NUM_PROC 4)
 python_test(FILE icc_interface.py MAX_NUM_PROC 1 LABELS gpu)
 python_test(FILE mass-and-rinertia_per_particle.py MAX_NUM_PROC 2 LABELS long)
@@ -217,7 +217,7 @@ python_test(FILE dipolar_interface.py MAX_NUM_PROC 2 LABELS gpu)
 python_test(FILE coulomb_interface.py MAX_NUM_PROC 2 LABELS gpu)
 python_test(FILE lb.py MAX_NUM_PROC 2 LABELS gpu)
 python_test(FILE lb_stats.py MAX_NUM_PROC 2 LABELS gpu long)
-python_test(FILE lb_stats.py MAX_NUM_PROC 1 LABELS gpu long SUFFIX n_square)
+python_test(FILE lb_stats.py MAX_NUM_PROC 1 LABELS gpu long SUFFIX 1_core)
 python_test(FILE lb_vtk.py MAX_NUM_PROC 2 LABELS gpu)
 python_test(FILE force_cap.py MAX_NUM_PROC 2)
 python_test(FILE dpd.py MAX_NUM_PROC 4)
@@ -278,7 +278,7 @@ python_test(FILE lb_thermostat.py MAX_NUM_PROC 2 LABELS gpu)
 python_test(FILE lb_buoyancy_force.py MAX_NUM_PROC 4 LABELS gpu)
 python_test(FILE lb_momentum_conservation.py MAX_NUM_PROC 4 LABELS gpu)
 python_test(FILE lb_momentum_conservation.py MAX_NUM_PROC 1 LABELS gpu SUFFIX
-            n_square)
+            1_core)
 python_test(FILE p3m_electrostatic_pressure.py MAX_NUM_PROC 2 LABELS gpu)
 python_test(FILE p3m_madelung.py MAX_NUM_PROC 2 LABELS gpu long)
 python_test(FILE sigint.py DEPENDENCIES sigint_child.py MAX_NUM_PROC 1)

diff --git a/testsuite/python/engine_lb.py b/testsuite/python/engine_lb.py
@@ -34,7 +34,6 @@ class SwimmerTest():
                  'kT': 0,
                  'tau': system.time_step}
     gamma = 0.3
-    n_nodes = system.cell_system.get_state()['n_nodes']
 
     def add_all_types_of_swimmers(
             self,
@@ -145,8 +144,6 @@ def set_cellsystem(self):
         self.system.cell_system.set_regular_decomposition()
 
 
-@ut.skipIf(SwimmerTest.n_nodes > 1,
-           "LB with N-square only works on 1 MPI rank")
 @utx.skipIfMissingFeatures(["ENGINE", "ROTATIONAL_INERTIA", "MASS"])
 class SwimmerTestNSquareCPU(SwimmerTest, ut.TestCase):
 
@@ -168,8 +165,6 @@ def set_cellsystem(self):
         self.system.cell_system.set_n_square()
 
 
-@ut.skipIf(SwimmerTest.n_nodes > 1,
-           "LB with N-square only works on 1 MPI rank")
 @utx.skipIfMissingFeatures(["ENGINE", "ROTATIONAL_INERTIA", "MASS"])
 class SwimmerTestHybrid0CPU(SwimmerTest, ut.TestCase):
 
@@ -181,8 +176,6 @@ def set_cellsystem(self):
             n_square_types={0}, cutoff_regular=1)
 
 
-@ut.skipIf(SwimmerTest.n_nodes > 1,
-           "LB with N-square only works on 1 MPI rank")
 @utx.skipIfMissingFeatures(["ENGINE", "ROTATIONAL_INERTIA", "MASS"])
 class SwimmerTestHybrid1CPU(SwimmerTest, ut.TestCase):
 

diff --git a/testsuite/python/lb_momentum_conservation.py b/testsuite/python/lb_momentum_conservation.py
@@ -48,7 +48,6 @@ class Momentum(object):
     system = espressomd.System(box_l=[BOX_SIZE] * 3)
     system.time_step = TIME_STEP
     system.cell_system.skin = 0.01
-    n_nodes = system.cell_system.get_state()['n_nodes']
 
     def setUp(self):
         self.set_cellsystem()
@@ -116,8 +115,6 @@ def set_cellsystem(self):
         self.system.cell_system.set_n_square()
 
 
-@ut.skipIf(Momentum.n_nodes > 1,
-           "LB with N-square only works on 1 MPI rank")
 @utx.skipIfMissingFeatures(["EXTERNAL_FORCES"])
 class TestNSquareLBCPU(Momentum, ut.TestCase):
 
@@ -149,8 +146,6 @@ def set_cellsystem(self):
             n_square_types={1}, cutoff_regular=1)
 
 
-@ut.skipIf(Momentum.n_nodes > 1,
-           "LB with N-square only works on 1 MPI rank")
 @utx.skipIfMissingFeatures(["EXTERNAL_FORCES"])
 class TestHybrid0LBCPU(Momentum, ut.TestCase):
 
@@ -161,8 +156,6 @@ def set_cellsystem(self):
             n_square_types={0}, cutoff_regular=1)
 
 
-@ut.skipIf(Momentum.n_nodes > 1,
-           "LB with N-square only works on 1 MPI rank")
 @utx.skipIfMissingFeatures(["EXTERNAL_FORCES"])
 class TestHybrid1LBCPU(Momentum, ut.TestCase):
 

diff --git a/testsuite/python/lb_stats.py b/testsuite/python/lb_stats.py
@@ -45,7 +45,6 @@ class TestLB:
     system.time_step = 0.01
     system.cell_system.skin = 1.0
     dof = 3.
-    n_nodes = system.cell_system.get_state()['n_nodes']
 
     def tearDown(self):
         self.system.actors.clear()
@@ -165,8 +164,6 @@ def setUp(self):
         self.params.update({"mom_prec": 1E-3, "mass_prec_per_node": 1E-5})
 
 
-@ut.skipIf(TestLB.n_nodes > 1,
-           "LB with N-square only works on 1 MPI rank")
 class TestNSquareLBCPU(TestLB, ut.TestCase):
 
     def setUp(self):
@@ -186,8 +183,6 @@ def setUp(self):
         self.params.update({"mom_prec": 1E-3, "mass_prec_per_node": 1E-5})
 
 
-@ut.skipIf(TestLB.n_nodes > 1,
-           "LB with N-square only works on 1 MPI rank")
 class TestHybrid0LBCPU(TestLB, ut.TestCase):
 
     def setUp(self):