FFT resource lock

src/core/MpiCallbacks.hpp

@@ -269,16 +269,13 @@ class MpiCallbacks {
   }
 
   ~MpiCallbacks() {
-    auto const myrank = m_comm.rank();
-    printf("%i: ~MpiCallbacks()\n", myrank);
     /* Release the clients on exit */
     if (m_abort_on_exit && (m_comm.rank() == 0)) {
       try {
         abort_loop();
       } catch (...) {
       }
     }
-    printf("%i: ~MpiCallbacks(): done\n", myrank);
   }
 
 private:
@@ -452,6 +449,10 @@ class MpiCallbacks {
    */
   boost::mpi::communicator const &comm() const { return m_comm; }
 
+  std::shared_ptr<boost::mpi::environment> share_mpi_env() const {
+    return m_mpi_env;
+  }
+
 private:
   /**
    * @brief Id for the @ref abort_loop. Has to be 0.

src/core/communication.cpp

@@ -118,7 +118,6 @@ Utils::Vector3i Communicator::calc_node_index() const {
 }
 
 std::shared_ptr<boost::mpi::environment> mpi_init(int argc, char **argv) {
-  // std::ignore = boost::mpi::detail::mpi_datatype_cache();
   return std::make_shared<boost::mpi::environment>(argc, argv);
 }
 

src/python/espressomd/_init.pyx

@@ -33,13 +33,9 @@ script_interface.init(communication.mpiCallbacksHandle())
 
 
 def session_shutdown():
-    print(f"{communication.this_node}: _init.pyx: session_shutdown()")
-    print(f"{communication.this_node}: _init.pyx: mpi_env.use_count() = {mpi_env.use_count()}")
-    print(f"{communication.this_node}: _init.pyx: m_callbacks.use_count() = {communication.mpiCallbacksHandle().use_count()}")
     mpi_env.reset()
     communication.deinit()
     script_interface.deinit()
-    print(f"{communication.this_node}: _init.pyx: done")
 
 
 atexit.register(session_shutdown)
@@ -48,5 +44,4 @@ atexit.register(session_shutdown)
 # The head node is just returning to the user script.
 if communication.this_node != 0:
     communication.mpi_loop()
-    print(f"{communication.this_node}: sys.exit(0)")
     sys.exit(0)

src/python/espressomd/script_interface.pyx

@@ -571,7 +571,7 @@ def script_interface_register(c):
     return c
 
 
-cdef void init(const shared_ptr[MpiCallbacks] &cb):
+cdef void init(const shared_ptr[MpiCallbacks] & cb):
     cdef Factory[ObjectHandle] f
 
     initialize(& f)

src/script_interface/walberla/EKFFT.hpp

@@ -28,17 +28,21 @@
 #include "LatticeWalberla.hpp"
 
 #include <walberla_bridge/electrokinetics/ek_poisson_fft_init.hpp>
+#include <walberla_bridge/utils/ResourceManager.hpp>
 
 #include <script_interface/ScriptInterface.hpp>
 #include <script_interface/auto_parameters/AutoParameters.hpp>
 
+#include <core/communication.hpp>
+
 #include <utils/math/int_pow.hpp>
 
 #include <memory>
 
 namespace ScriptInterface::walberla {
 
 class EKFFT : public EKPoissonSolver {
+  std::unique_ptr<ResourceManager> m_resources_lock; // must appear first
   std::shared_ptr<::walberla::PoissonSolver> m_instance;
   std::shared_ptr<LatticeWalberla> m_lattice;
   double m_conv_permittivity;
@@ -57,7 +61,13 @@ class EKFFT : public EKPoissonSolver {
 
     m_instance = new_ek_poisson_fft(m_lattice->lattice(), permittivity,
                                     m_single_precision);
+    m_resources_lock = std::make_unique<ResourceManager>();
+    // MPI communicator is needed to destroy the FFT plans
+    m_resources_lock->acquire_lock(
+        Communication::mpiCallbacksHandle()->share_mpi_env());
+  }
 
+  EKFFT() {
     add_parameters({
         {"permittivity",
          [this](Variant const &v) {