diff --git a/src/force/nep3_multigpu.cu b/src/force/nep3_multigpu.cu index 75b7fc05..cae9db3a 100644 --- a/src/force/nep3_multigpu.cu +++ b/src/force/nep3_multigpu.cu @@ -1004,7 +1004,7 @@ static __global__ void find_descriptor( apply_ann_one_layer( annmb.dim, annmb.num_neurons1, annmb.w0[t1], annmb.b0[t1], annmb.w1[t1], annmb.b1, q, F, Fp); - g_pe[n1] += F; + g_pe[n1] = F; for (int d = 0; d < annmb.dim; ++d) { g_Fp[d * N + n1] = Fp[d] * paramb.q_scaler[d];