Test: add parallel scripts for parallel_orbitals unit tests (#2778)

Co-authored-by: root <hongriTianqi>

source/module_basis/module_ao/test/CMakeLists.txt

@@ -116,7 +116,7 @@ AddTest(
 
 install(FILES parallel_2d_test.sh DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
 find_program(BASH bash)
-add_test(NAME parallel_2d_test_para4
+add_test(NAME parallel_2d_test_para
       COMMAND ${BASH} parallel_2d_test.sh
       WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
 )
@@ -127,6 +127,13 @@ AddTest(
     LIBS ${math_libs} device base
 )
 
+install(FILES parallel_orbitals_test.sh DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
+find_program(BASH bash)
+add_test(NAME parallel_orbitals_test_para
+      COMMAND ${BASH} parallel_orbitals_test.sh
+      WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
+)
+
 install(DIRECTORY lcao_H2O DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
 install(DIRECTORY lcao_H2O DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/../../../tests)
 

source/module_basis/module_ao/test/parallel_2d_test.sh

@@ -9,5 +9,4 @@ for i in 2 3 4; do
     fi
     echo "TEST in parallel, nprocs=$i"
     mpirun -np $i ./parallel_2d_test
-    break    
 done

source/module_basis/module_ao/test/parallel_orbitals_test.sh

@@ -0,0 +1,12 @@
+#!/bin/bash -e
+
+np=`cat /proc/cpuinfo | grep "cpu cores" | uniq| awk '{print $NF}'`
+echo "nprocs in this machine is $np"
+
+for i in 2 3 4; do
+    if [[ $i -gt $np ]];then
+        continue
+    fi
+    echo "TEST in parallel, nprocs=$i"
+    mpirun -np $i ./parallel_orbitals_test
+done