Merge pull request #1908 from stanmoore1/kk_finalize

Finalize Kokkos on error exit

src/accelerator_kokkos.h

@@ -61,6 +61,11 @@ class KokkosLMP {
   int neigh_count(int) {return 0;}
 };
 
+class Kokkos {
+ public:
+  static void finalize() {}
+};
+
 class AtomKokkos : public Atom {
  public:
   tagint **k_special;

src/error.cpp

@@ -18,6 +18,7 @@
 #include "universe.h"
 #include "output.h"
 #include "input.h"
+#include "accelerator_kokkos.h"
 
 #if defined(LAMMPS_EXCEPTIONS)
 #include "update.h"
@@ -83,6 +84,7 @@ void Error::universe_all(const char *file, int line, const char *str)
   snprintf(msg, 100, "ERROR: %s (%s:%d)\n", str, truncpath(file), line);
   throw LAMMPSException(msg);
 #else
+  if (lmp->kokkos) Kokkos::finalize();
   MPI_Finalize();
   exit(1);
 #endif
@@ -173,6 +175,7 @@ void Error::all(const char *file, int line, const char *str)
   if (logfile) fclose(logfile);
 
   if (universe->nworlds > 1) MPI_Abort(universe->uworld,1);
+  if (lmp->kokkos) Kokkos::finalize();
   MPI_Finalize();
   exit(1);
 #endif
@@ -259,6 +262,7 @@ void Error::done(int status)
   if (screen && screen != stdout) fclose(screen);
   if (logfile) fclose(logfile);
 
+  if (lmp->kokkos) Kokkos::finalize();
   MPI_Finalize();
   exit(status);
 }