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Rename tests from regtest-grid/Ar to regtest-grid/simple
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oschuett committed Mar 15, 2021
1 parent 424cee8 commit 6c97260
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Showing 9 changed files with 17 additions and 17 deletions.
18 changes: 9 additions & 9 deletions tests/QS/regtest-grid/TEST_FILES
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# 1 compares the last total energy in the file
# for details see cp2k/tools/do_regtest

Ar_non-ortho_grid_auto.inp 1 1e-12 -18.04976254476928
Ar_non-ortho_grid_validate.inp 1 1e-12 -18.04976254476928
Ar_non-ortho_grid_ref.inp 1 1e-12 -18.04976254476928
Ar_non-ortho_grid_dgemm.inp 1 5e-09 -18.05635361766292
simple_non-ortho_grid_auto.inp 1 1e-12 -18.04976254476928
simple_non-ortho_grid_validate.inp 1 1e-12 -18.04976254476928
simple_non-ortho_grid_ref.inp 1 1e-12 -18.04976254476928
simple_non-ortho_grid_dgemm.inp 1 5e-09 -18.05635361766292

Ar_ortho_grid_auto.inp 1 2e-14 -21.04944231395059
Ar_ortho_grid_validate.inp 1 2e-14 -21.04944231395059
Ar_ortho_grid_ref.inp 1 2e-14 -21.04944231395059
Ar_ortho_grid_dgemm.inp 1 2e-14 -21.04944231897051
simple_ortho_grid_auto.inp 1 2e-14 -21.04944231395059
simple_ortho_grid_validate.inp 1 2e-14 -21.04944231395059
simple_ortho_grid_ref.inp 1 2e-14 -21.04944231395059
simple_ortho_grid_dgemm.inp 1 2e-14 -21.04944231897051

H2O-1_non-ortho_grid_auto.inp 1 1.0E-12 -17.178574723910064
H2O-1_non-ortho_grid_dgemm.inp 1 1.0E-12 -17.178574725912100

H2O-1_ortho_grid_auto.inp 1 1.0E-12 -17.178574764501384
H2O-1_ortho_grid_dgemm.inp 1 1.0E-12 -17.178574764551222

#EOF
#EOF
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Expand Up @@ -65,6 +65,6 @@ C 1.22800000 -0.70898613 5.02200000
&GRID
BACKEND AUTO
&END GRID
PROJECT Ar_non-ortho_grid_auto
PROJECT simple_non-ortho_grid_auto
PRINT_LEVEL MEDIUM
&END GLOBAL
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Expand Up @@ -66,6 +66,6 @@ C 1.22800000 -0.70898613 5.02200000
BACKEND CPU
APPLY_CUTOFF no
&END GRID
PROJECT Ar_non-ortho_grid_dgemm
PROJECT simple_non-ortho_grid_dgemm
PRINT_LEVEL MEDIUM
&END GLOBAL
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Expand Up @@ -65,6 +65,6 @@ C 1.22800000 -0.70898613 5.02200000
&GRID
BACKEND REF
&END GRID
PROJECT Ar_non-ortho_grid_ref
PROJECT simple_non-ortho_grid_ref
PRINT_LEVEL MEDIUM
&END GLOBAL
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Expand Up @@ -65,6 +65,6 @@ C 1.22800000 -0.70898613 5.02200000
&GRID
VALIDATE .TRUE.
&END GRID
PROJECT Ar_non-ortho_grid_validate
PROJECT simple_non-ortho_grid_validate
PRINT_LEVEL MEDIUM
&END GLOBAL
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&GRID
BACKEND AUTO
&END GRID
PROJECT Ar_ortho_grid_auto
PROJECT simple_ortho_grid_auto
PRINT_LEVEL MEDIUM
&END GLOBAL
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Expand Up @@ -54,6 +54,6 @@
BACKEND CPU
APPLY_CUTOFF no
&END GRID
PROJECT Ar_ortho_grid_dgemm
PROJECT simple_ortho_grid_dgemm
PRINT_LEVEL MEDIUM
&END GLOBAL
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&GRID
BACKEND REF
&END GRID
PROJECT Ar_ortho_grid_ref
PROJECT simple_ortho_grid_ref
PRINT_LEVEL MEDIUM
&END GLOBAL
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&GRID
VALIDATE .TRUE.
&END GRID
PROJECT Ar_ortho_grid_validate
PROJECT simple_ortho_grid_validate
PRINT_LEVEL MEDIUM
&END GLOBAL

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