Update cal_gvx.cpp

deepmodeling · Jan 4, 2025 · 0aac194 · 0aac194
1 parent 59ebcb1
commit 0aac194
Showing 1 changed file with 5 additions and 0 deletions.
diff --git 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);