Fix: Remove redundant mpi barrier

Flying-dragon-boxing · Flying-dragon-boxing · commit a8b7af06b8a9 · 2025-03-07T17:52:06.000+08:00
diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_exx.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_exx.cpp
@@ -27,8 +27,6 @@ void Stress_PW<FPTYPE, Device>::stress_exx(ModuleBase::matrix& sigma,
     double tpiba2 = ucell.tpiba2;
     double omega_inv = 1.0 / omega;
 
-    MPI_Barrier(MPI_COMM_WORLD);
-
     // allocate space
     T* psi_nk_real = nullptr;
     T* psi_mq_real = nullptr;
@@ -126,8 +124,6 @@ void Stress_PW<FPTYPE, Device>::stress_exx(ModuleBase::matrix& sigma,
 
     }
 
-    MPI_Barrier(MPI_COMM_WORLD);
-
     // prepare for the potential
     for (int ik = 0; ik < nks; ik++)
     {
@@ -156,8 +152,6 @@ void Stress_PW<FPTYPE, Device>::stress_exx(ModuleBase::matrix& sigma,
 
     // calculate the stress
 
-    MPI_Barrier(MPI_COMM_WORLD);
-
     // for nk, mq
     for (int ik = 0; ik < nks; ik++)
     {
@@ -232,8 +226,6 @@ void Stress_PW<FPTYPE, Device>::stress_exx(ModuleBase::matrix& sigma,
         }
     }
 
-    MPI_Barrier(MPI_COMM_WORLD);
-
     for (int l = 0; l < 3; l++)
     {
         for (int m = l + 1; m < 3; m++)

Original file line number	Diff line number	Diff line change
`@@ -27,8 +27,6 @@ void Stress_PW<FPTYPE, Device>::stress_exx(ModuleBase::matrix& sigma,`
`27`	`27`	`double tpiba2 = ucell.tpiba2;`
`28`	`28`	`double omega_inv = 1.0 / omega;`
`29`	`29`
`30`		`- MPI_Barrier(MPI_COMM_WORLD);`
`31`		`-`
`32`	`30`	`// allocate space`
`33`	`31`	`T* psi_nk_real = nullptr;`
`34`	`32`	`T* psi_mq_real = nullptr;`
`@@ -126,8 +124,6 @@ void Stress_PW<FPTYPE, Device>::stress_exx(ModuleBase::matrix& sigma,`
`126`	`124`
`127`	`125`	`}`
`128`	`126`
`129`		`- MPI_Barrier(MPI_COMM_WORLD);`
`130`		`-`
`131`	`127`	`// prepare for the potential`
`132`	`128`	`for (int ik = 0; ik < nks; ik++)`
`133`	`129`	`{`
`@@ -156,8 +152,6 @@ void Stress_PW<FPTYPE, Device>::stress_exx(ModuleBase::matrix& sigma,`
`156`	`152`
`157`	`153`	`// calculate the stress`
`158`	`154`
`159`		`- MPI_Barrier(MPI_COMM_WORLD);`
`160`		`-`
`161`	`155`	`// for nk, mq`
`162`	`156`	`for (int ik = 0; ik < nks; ik++)`
`163`	`157`	`{`
`@@ -232,8 +226,6 @@ void Stress_PW<FPTYPE, Device>::stress_exx(ModuleBase::matrix& sigma,`
`232`	`226`	`}`
`233`	`227`	`}`
`234`	`228`
`235`		`- MPI_Barrier(MPI_COMM_WORLD);`
`236`		`-`
`237`	`229`	`for (int l = 0; l < 3; l++)`
`238`	`230`	`{`
`239`	`231`	`for (int m = l + 1; m < 3; m++)`