split test to serial part and parallel part

Author: dyzheng

source/source_lcao/module_operator_lcao/test/CMakeLists.txt

@@ -14,6 +14,19 @@ AddTest(
   ../../../source_estate/module_pot/H_TDDFT_pw.cpp
 )
 
+AddTest(
+  TARGET operator_overlap_serial_test
+  LIBS parameter ${math_libs} psi base device container
+  SOURCES test_overlapnew_serial.cpp ../overlap_new.cpp ../operator_force_stress_utils.cpp ../../module_hcontainer/func_folding.cpp
+  ../../module_hcontainer/base_matrix.cpp ../../module_hcontainer/hcontainer.cpp ../../module_hcontainer/atom_pair.cpp
+  ../../../source_basis/module_ao/parallel_orbitals.cpp
+  ../../../source_basis/module_ao/ORB_atomic_lm.cpp
+  tmp_mocks.cpp ../../../source_hamilt/operator.cpp
+  ../../module_rt/td_info.cpp
+  ../../module_rt/td_folding.cpp
+  ../../../source_estate/module_pot/H_TDDFT_pw.cpp
+)
+
 AddTest(
   TARGET operator_overlap_cd_test
   LIBS parameter ${math_libs} psi base device container
@@ -37,6 +50,16 @@ AddTest(
   tmp_mocks.cpp ../../../source_hamilt/operator.cpp
 )
 
+AddTest(
+  TARGET operator_ekinetic_serial_test
+  LIBS parameter ${math_libs} psi base device container
+  SOURCES test_ekineticnew_serial.cpp ../ekinetic_new.cpp ../operator_force_stress_utils.cpp ../../module_hcontainer/func_folding.cpp
+  ../../module_hcontainer/base_matrix.cpp ../../module_hcontainer/hcontainer.cpp ../../module_hcontainer/atom_pair.cpp
+  ../../../source_basis/module_ao/parallel_orbitals.cpp
+  ../../../source_basis/module_ao/ORB_atomic_lm.cpp
+  tmp_mocks.cpp ../../../source_hamilt/operator.cpp
+)
+
 AddTest(
   TARGET operator_nonlocal_test
   LIBS parameter ${math_libs} psi base device container

source/source_lcao/module_operator_lcao/test/parallel_operator_tests.sh

@@ -8,15 +8,15 @@ for i in 2 3 4; do
         continue
     fi
     echo "TEST in parallel, nprocs=$i"
-    mpirun -np $i ./operator_overlap_cd_test
+    mpirun --allow-run-as-root -np $i ./operator_overlap_cd_test
     e1=$?
-    mpirun -np $i ./operator_overlap_test
+    mpirun --allow-run-as-root -np $i ./operator_overlap_test
     e2=$?
-    mpirun -np $i ./operator_ekinetic_test
+    mpirun --allow-run-as-root -np $i ./operator_ekinetic_test
     e3=$?
-    mpirun -np $i ./operator_nonlocal_test
+    mpirun --allow-run-as-root -np $i ./operator_nonlocal_test
     e4=$?
-    mpirun -np $i ./operator_T_NL_cd_test
+    mpirun --allow-run-as-root -np $i ./operator_T_NL_cd_test
     e5=$?
     if [[ $e1 -ne 0 || $e2 -ne 0 || $e3 -ne 0 || $e4 -ne 0 || $e5 -ne 0 ]]; then
         echo -e "\e[1;33m [  FAILED  ] \e[0m"\