Fix massive performance regression on GPUs with Kokkos version of fix npt

This commit is contained in:
Stan Moore
2025-01-22 14:22:09 -07:00
parent b1b51307c0
commit 19d64fd0f9

View File

@ -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;
}
/* ---------------------------------------------------------------------- */