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fix runtime error from lack of comm->setup()

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2021-12-15 11:52:38 -08:00
parent 40c0925cb4
commit 9fbca5111d
2 changed files with 4 additions and 0 deletions
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2
src/KOKKOS/dynamical_matrix_kokkos.cpp
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@ -1,3 +1,4 @@
//
// clang-format off
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
@ -112,6 +113,7 @@ void DynamicalMatrixKokkos::setup()
if (triclinic) domain->x2lamda(atom->nlocal);
domain->pbc();
domain->reset_box();
comm->setup();
if (neighbor->style) neighbor->setup_bins();
comm->exchange();
comm->borders();

2
src/KOKKOS/third_order_kokkos.cpp
View File

@ -1,3 +1,4 @@
//
// clang-format off
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
@ -112,6 +113,7 @@ void ThirdOrderKokkos::setup()
if (triclinic) domain->x2lamda(atom->nlocal);
domain->pbc();
domain->reset_box();
comm->setup();
if (neighbor->style) neighbor->setup_bins();
comm->exchange();
comm->borders();