From 19d64fd0f9d902457d65b96e3a86b418005d9c98 Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Wed, 22 Jan 2025 14:22:09 -0700 Subject: [PATCH] Fix massive performance regression on GPUs with Kokkos version of fix npt --- src/compute_pressure.cpp | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/src/compute_pressure.cpp b/src/compute_pressure.cpp index 2c90af5fc1..65cb612390 100644 --- a/src/compute_pressure.cpp +++ b/src/compute_pressure.cpp @@ -16,6 +16,7 @@ #include "angle.h" #include "atom.h" +#include "atom_masks.h" #include "bond.h" #include "dihedral.h" #include "domain.h" @@ -132,6 +133,11 @@ ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) : vector = new double[size_vector]; nvirial = 0; vptr = nullptr; + + // KOKKOS + + datamask_read = EMPTY_MASK; + datamask_modify = EMPTY_MASK; } /* ---------------------------------------------------------------------- */