From 035077417609a9ba93ea5288ce8f5c86cf3a8e09 Mon Sep 17 00:00:00 2001
From: brucefan1983 <brucenju@gmail.com>
Date: Sun, 30 Jun 2024 14:26:30 +0800
Subject: [PATCH] fix energy bug for multi-gpu

---
 src/force/nep3_multigpu.cu | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/force/nep3_multigpu.cu b/src/force/nep3_multigpu.cu
index 75b7fc05f..cae9db3a3 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];