add write_eig_occ

A-006 · A-006 · commit 1ade02fbe81b · 2026-01-12T15:50:12.000+08:00
diff --git a/source/source_io/write_eig_occ.cpp b/source/source_io/write_eig_occ.cpp
@@ -5,6 +5,7 @@
 #include "source_base/global_variable.h"
 #include "source_base/timer.h"
 #include "source_base/parallel_comm.h" // use POOL_WORLD
+#include "source_base/parallel_reduce.h"
 
 #ifdef __MPI
 #include <mpi.h> // use MPI_Barrier
@@ -190,10 +191,7 @@ void ModuleIO::write_eig_file(const ModuleBase::matrix &ekb,
 			}
 		}
 	}
-
-#ifdef __MPI
-    MPI_Allreduce(MPI_IN_PLACE, &wrong, 1, MPI_C_BOOL, MPI_LOR, MPI_COMM_WORLD);
-#endif
+    Parallel_Reduce::gather_or_bool_all(wrong);
     if (wrong)
     {
         ModuleBase::WARNING_QUIT("ModuleIO::write_eig_file", "Eigenvalues are too large!");

Original file line number	Diff line number	Diff line change
`@@ -5,6 +5,7 @@`
`5`	`5`	`#include "source_base/global_variable.h"`
`6`	`6`	`#include "source_base/timer.h"`
`7`	`7`	`#include "source_base/parallel_comm.h" // use POOL_WORLD`
	`8`	`+#include "source_base/parallel_reduce.h"`
`8`	`9`
`9`	`10`	`#ifdef __MPI`
`10`	`11`	`#include <mpi.h> // use MPI_Barrier`
`@@ -190,10 +191,7 @@ void ModuleIO::write_eig_file(const ModuleBase::matrix &ekb,`
`190`	`191`	`}`
`191`	`192`	`}`
`192`	`193`	`}`
`193`		`-`
`194`		`-#ifdef __MPI`
`195`		`- MPI_Allreduce(MPI_IN_PLACE, &wrong, 1, MPI_C_BOOL, MPI_LOR, MPI_COMM_WORLD);`
`196`		`-#endif`
	`194`	`+ Parallel_Reduce::gather_or_bool_all(wrong);`
`197`	`195`	`if (wrong)`
`198`	`196`	`{`
`199`	`197`	`ModuleBase::WARNING_QUIT("ModuleIO::write_eig_file", "Eigenvalues are too large!");`