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lines changed Original file line number Diff line number Diff line change @@ -48,7 +48,7 @@ nksibzref = 8 # Expected irreducible k-points
4848
4949# [Comments]
5050# the test case is designed to validate the basic parameters of the GaAs
51- # deformation simulation using the Davidson subspace solver
51+ # deformation simulation using the BPCG solver
5252# in a GPU environment. The test checks for correct energy
5353# calculations, symmetry group identification, and k-point sampling.
5454# The test is marked as P1, indicating its importance in core configuration
Original file line number Diff line number Diff line change @@ -48,8 +48,8 @@ nksibzref = 8 # Expected irreducible k-points
4848
4949# [Comments]
5050# the test case is designed to validate the basic parameters of the GaAs
51- # deformation simulation using the Davidson subspace solver
52- # in a GPU environment. The test checks for correct energy
51+ # deformation simulation using the BPCG solver
52+ # in a non- GPU environment. The test checks for correct energy
5353# calculations, symmetry group identification, and k-point sampling.
5454# The test is marked as P1, indicating its importance in core configuration
5555# validation.
Original file line number Diff line number Diff line change @@ -32,9 +32,9 @@ gpu_vendor = nvidia # GPU vendor (Equivalence Class: nvidia/a
32323. Compare GPU calculation results with referenct results
3333
3434# [Expected Results]
35- etotref = -4869.7470519303351466 # Reference total energy (Ry)
36- etotperatomref = -2434.8735259652 # Reference energy per atom (Ry/atom)
37- pointgroupref = C_1 # Expected point group symmetry
35+ etotref = -4869.7470519303351466 # Reference total energy (Ry)
36+ etotperatomref = -2434.8735259652 # Reference energy per atom (Ry/atom)
37+ pointgroupref = C_1 # Expected point group symmetry
3838spacegroupref = C_1 # Expected space group symmetry
3939nksibzref = 8 # Expected irreducible k-points
4040
@@ -48,7 +48,7 @@ nksibzref = 8 # Expected irreducible k-points
4848
4949# [Comments]
5050# the test case is designed to validate the basic parameters of the GaAs
51- # deformation simulation using the Davidson subspace solver
51+ # deformation simulation using the CG solver
5252# in a GPU environment. The test checks for correct energy
5353# calculations, symmetry group identification, and k-point sampling.
5454# The test is marked as P1, indicating its importance in core configuration
Original file line number Diff line number Diff line change @@ -48,8 +48,8 @@ nksibzref = 1 # Expected irreducible k-points
4848
4949# [Comments]
5050# the test case is designed to validate the basic parameters of the GaAs
51- # deformation simulation using the Davidson subspace solver
52- # in a GPU environment. The test checks for correct energy
51+ # deformation simulation using the CG solver
52+ # in a non- GPU environment. The test checks for correct energy
5353# calculations, symmetry group identification, and k-point sampling.
5454# The test is marked as P1, indicating its importance in core configuration
5555# validation.
Original file line number Diff line number Diff line change @@ -48,7 +48,7 @@ nksibzref = 8 # Expected irreducible k-points
4848
4949# [Comments]
5050# the test case is designed to validate the basic parameters of the GaAs
51- # deformation simulation using the Davidson subspace solver
51+ # deformation simulation using the Davidson solver
5252# in a GPU environment. The test checks for correct energy
5353# calculations, symmetry group identification, and k-point sampling.
5454# The test is marked as P2, indicating its importance in Non-core configuration
Original file line number Diff line number Diff line change @@ -48,8 +48,8 @@ nksibzref = 1 # Expected irreducible k-points
4848
4949# [Comments]
5050# the test case is designed to validate the basic parameters of the GaAs
51- # deformation simulation using the Davidson subspace solver
52- # in a GPU environment. The test checks for correct energy
51+ # deformation simulation using the Davidson solver
52+ # in a non- GPU environment. The test checks for correct energy
5353# calculations, symmetry group identification, and k-point sampling.
5454# The test is marked as P2, indicating its importance in Non-core configuration
5555# validation.
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