Merge pull request #996 from pxlxingliang/develop

test(cusolver): add the running of hsolver_diago in CUDA TEST

Author: pxlxingliang

.github/workflows/cuda.yml

@@ -42,14 +42,20 @@ jobs:
         run: |
           nvidia-smi
           cmake -B build -DUSE_CUSOLVER_LCAO=ON
-          cmake --build build -j4
+          cmake --build build -j4 
           cmake --install build
+          cmake -B build -DBUILD_TESTING=ON
+          cmake --build build -j4 --target hsolver_diago
       - name: Test
         run: |
           export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/usr/local/cuda/lib64
           cd tests/integrate
           echo "ks_solver cusolver" >> ./270_NO_MD_2O/INPUT
           ./Autotest.sh -r 270_NO_MD_2O
+          cd ../../source/src_pdiag/test/
+          cp ../../../build/source/src_pdiag/test/hsolver_diago .
+          ./hsolver_diago
+          bash diago_parallel_test.sh
 
   stop-runner:
     name: Stop self-hosted EC2 runner

examples/performance/run.sh

@@ -37,8 +37,8 @@ check_out() {
         cal=$(grep "$key" $outfile | awk '{printf "%.'$ca'f\n",$2}')
         ref=$(grep "$key" result.ref | awk '{printf "%.'$ca'f\n",$2}')
         deviation=$(awk 'BEGIN {x='$ref';y='$cal';if (x<y) {a=y-x} else {a=x-y};printf "%.'$ca'f\n",a}')
-        deviation1=$(awk 'BEGIN{print '$deviation'*(10**'$ca')}')
-
+        deviation1=$(awk 'BEGIN{print '$deviation'*(10^'$ca')}')
+        
         if [ $key == "totaltimeref" ]; then
             break
         fi