fix for VEM optimization issue

.github/workflows/github_actions.yml

@@ -379,12 +379,6 @@ jobs:
             armci_network: MPI-TS
             nwchem_modules: "nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidump nwc_columbus"
             fc: ifx
-          - os: ubuntu-22.04
-            experimental: true
-            mpi_impl: mpich
-            armci_network: MPI-TS
-            nwchem_modules: "tinyqmpw"
-            fc: flang-new-20
           - os: ubuntu-22.04
             experimental: true
             mpi_impl: mpich

QA/doqmtests.mpi

@@ -728,6 +728,8 @@ let "myexit+=$?"
 let "myexit+=$?"
 ./runtests.mpi.unix procs $np p2ta-vem
 let "myexit+=$?"
+./runtests.mpi.unix procs $np tddftvem_n2_opt
+let "myexit+=$?"
 if [[ "$what" != "flaky" ]]; then
     echo
     echo  "the number of failed tests is" $myexit

QA/tests/tddftvem_n2_opt/tddftvem_n2_opt.nw

@@ -0,0 +1,40 @@
+start 
+
+echo
+
+title "VEM TDDFT N2  1.2A B3LYP/6-31G** QA TEST"
+
+charge 0
+
+geometry
+symmetry d2h
+N 0.0 0.0 -0.6
+N 0.0 0.0  0.6
+end
+
+basis spherical
+N library 6-31G**
+end
+
+dft
+xc b3lyp
+end
+driver
+clear
+end
+cosmo
+ do_cosmo_vem 1
+ solvent dmso
+end
+tddft
+ nroots 1
+ algorithm 1
+ notriplet
+ target 1
+ civecs
+ grad
+   root 1
+   solve_thresh 1d-05
+ end
+end
+task tddft optimize