More updates to Frontier ctests and scripts

dftfeDevelopers · Sep 16, 2024 · 0f98786 · 0f98786
1 parent ce60466
commit 0f98786
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Showing 5 changed files with 24 additions and 0 deletions.
diff --git a/testsGPU/pseudopotential/complex/jobscripts/frontierJobScript6GCDs6MPITasks.rc b/testsGPU/pseudopotential/complex/jobscripts/frontierJobScript6GCDs6MPITasks.rc
@@ -30,4 +30,6 @@ srun -n 6 -c 7 --gpu-bind closest $BASE/dftfe parameterFileMg2x_5.prm > outputMg
 srun -n 6 -c 7 --gpu-bind closest $BASE/dftfe parameterFileMg2x_6.prm > outputMg2x_6
 srun -n 6 -c 7 --gpu-bind closest $BASE/dftfe parameterFileMg2x_7.prm > outputMg2x_7
 srun -n 6 -c 7 --gpu-bind closest $BASE/dftfe parameterFileMg2x_8.prm > outputMg2x_8
+srun -n 6 -c 7 --gpu-bind closest $BASE/dftfe parameterFileMg2x_9.prm > outputMg2x_9
+srun -n 6 -c 7 --gpu-bind closest $BASE/dftfe parameterFileMg2x_10.prm > outputMg2x_10
 srun -n 6 -c 7 --gpu-bind closest $BASE/dftfe parameterFileBe.prm > outputBe
diff --git a/testsGPU/pseudopotential/complex/parameterFileMg2x_10.prm b/testsGPU/pseudopotential/complex/parameterFileMg2x_10.prm
@@ -84,3 +84,10 @@ subsection SCF parameters
        set SCALAPACKPROCS=2
   end
 end
+
+subsection Poisson problem parameters
+  set GPU MODE           = true
+  set MAXIMUM ITERATIONS = 20000
+  set TOLERANCE          = 1e-10
+end
+
diff --git a/testsGPU/pseudopotential/complex/parameterFileMg2x_9.prm b/testsGPU/pseudopotential/complex/parameterFileMg2x_9.prm
@@ -85,3 +85,10 @@ subsection SCF parameters
        set SCALAPACKPROCS=2
   end
 end
+
+subsection Poisson problem parameters
+  set GPU MODE           = true
+  set MAXIMUM ITERATIONS = 20000
+  set TOLERANCE          = 1e-10
+end
+
diff --git a/testsGPU/pseudopotential/real/jobscripts/frontierJobScript18GCDs18MPITasks.rc b/testsGPU/pseudopotential/real/jobscripts/frontierJobScript18GCDs18MPITasks.rc
@@ -28,6 +28,7 @@ srun -n 18 -c 7 --gpu-bind closest $BASE/dftfe Input_MD_1.prm > output_MD_1
 srun -n 18 -c 7 --gpu-bind closest $BASE/dftfe Input_MD_2.prm > output_MD_2
 srun -n 18 -c 7 --gpu-bind closest $BASE/dftfe parameterFileMg2x_1.prm > outputMg2x_1
 srun -n 18 -c 7 --gpu-bind closest $BASE/dftfe parameterFileMg2x_1_spingpu.prm > outputMg2x_1_spin_gpu
+srun -n 18 -c 7 --gpu-bind closest $BASE/dftfe parameterFileMg2x_2_spingpu.prm > outputMg2x_2_spin_gpu
 srun -n 18 -c 7 --gpu-bind closest $BASE/dftfe parameterFileMg2x_2.prm > outputMg2x_2
 srun -n 18 -c 7 --gpu-bind closest $BASE/dftfe parameterFileMg2x_3.prm > outputMg2x_3
 srun -n 18 -c 7 --gpu-bind closest $BASE/dftfe parameterFileMg2x_4.prm > outputMg2x_4

diff --git a/testsGPU/pseudopotential/real/parameterFileMg2x_2_spingpu.prm b/testsGPU/pseudopotential/real/parameterFileMg2x_2_spingpu.prm
@@ -68,3 +68,10 @@ subsection SCF parameters
        set CHEBYSHEV FILTER TOLERANCE=1e-5
   end
 end
+
+subsection Poisson problem parameters
+  set GPU MODE           = true
+  set MAXIMUM ITERATIONS = 20000
+  set TOLERANCE          = 1e-10
+end
+