From 0aac194eb28c005e15fc3417ea9d6a04b0ee0e1c Mon Sep 17 00:00:00 2001
From: Erjie Wu <110683255+ErjieWu@users.noreply.github.com>
Date: Sat, 4 Jan 2025 21:33:04 +0800
Subject: [PATCH] Update cal_gvx.cpp

---
 source/module_hamilt_lcao/module_deepks/cal_gvx.cpp | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/source/module_hamilt_lcao/module_deepks/cal_gvx.cpp b/source/module_hamilt_lcao/module_deepks/cal_gvx.cpp
index 0a301459cf..acd4044510 100644
--- a/source/module_hamilt_lcao/module_deepks/cal_gvx.cpp
+++ b/source/module_hamilt_lcao/module_deepks/cal_gvx.cpp
@@ -98,6 +98,11 @@ void LCAO_Deepks::check_gvx(const int nat, const torch::Tensor& gvx)
     std::ofstream ofs_x;
     std::ofstream ofs_y;
     std::ofstream ofs_z;
+    
+    if (GlobalV::MY_RANK != 0)
+    {
+        return;
+    }
 
     ofs_x << std::setprecision(12);
     ofs_y << std::setprecision(12);