provide more information on distribution error (#5509)

jinzx10 · web-flow · commit 48788b86beb8 · 2024-11-17T11:14:25.000+08:00
diff --git a/source/module_basis/module_ao/parallel_orbitals.cpp b/source/module_basis/module_ao/parallel_orbitals.cpp
@@ -247,7 +247,10 @@ int Parallel_Orbitals::set_nloc_wfc_Eij(
         }
         else
         {
-            ModuleBase::WARNING_QUIT("Parallel_Orbitals::set_nloc_wfc_Eij", "some processor has no bands-row-blocks.");
+            ModuleBase::WARNING_QUIT("Parallel_Orbitals::set_nloc_wfc_Eij",
+                "The number of columns of the 2D process grid exceeds the number of bands. "
+                "Try launching the calculation with fewer MPI processes."
+            );
         }
     }
     int col_b_bands = block / dim1;

Original file line number	Diff line number	Diff line change
`@@ -247,7 +247,10 @@ int Parallel_Orbitals::set_nloc_wfc_Eij(`
`247`	`247`	`}`
`248`	`248`	`else`
`249`	`249`	`{`
`250`		`- ModuleBase::WARNING_QUIT("Parallel_Orbitals::set_nloc_wfc_Eij", "some processor has no bands-row-blocks.");`
	`250`	`+ ModuleBase::WARNING_QUIT("Parallel_Orbitals::set_nloc_wfc_Eij",`
	`251`	`+ "The number of columns of the 2D process grid exceeds the number of bands. "`
	`252`	`+ "Try launching the calculation with fewer MPI processes."`
	`253`	`+ );`
`251`	`254`	`}`
`252`	`255`	`}`
`253`	`256`	`int col_b_bands = block / dim1;`