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Kokkos fix out-of-bounds access

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rohskopf
2023-01-25 13:56:52 -07:00
parent 91ef7c22fa
commit 34a5123e29
1 changed files with 9 additions and 6 deletions
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15
src/KOKKOS/meam_force_kokkos.h
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@ -456,12 +456,15 @@ KOKKOS_INLINE_FUNCTION void MEAMKokkos<DeviceType>::operator()(TagMEAMForce<NEIG
drho3mdrm2[m] = (-a3 * drho3mdrm2[m] + a3a * d_arho3mb(j, m)) * rhoa3mi;
}
} else{
drho1mdrm1[m] = 0.0;
drho1mdrm2[m] = 0.0;
drho2mdrm1[m] = 0.0;
drho2mdrm2[m] = 0.0;
drho3mdrm1[m] = 0.0;
drho3mdrm2[m] = 0.0;
for (m = 0; m < 3; m++){
drho1mdrm1[m] = 0.0;
drho1mdrm2[m] = 0.0;
drho2mdrm1[m] = 0.0;
drho2mdrm2[m] = 0.0;
drho3mdrm1[m] = 0.0;
drho3mdrm2[m] = 0.0;
}
}
// Compute derivatives of weighting functions t wrt rij