comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-29 06:35:28 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

Rename tests from regtest-grid/Ar to regtest-grid/simple

Browse source
This commit is contained in:
Ole Schütt 2021-03-14 11:41:04 +01:00 • committed by Ole Schütt
parent 424cee84db
commit 6c97260168
9 changed files with 17 additions and 17 deletions
Download patch file Download diff file Expand all files Collapse all files

18
tests/QS/regtest-grid/TEST_FILES
View file

@ -4,15 +4,15 @@
# 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
@ -20,4 +20,4 @@ H2O-1_non-ortho_grid_dgemm.inp 1 1.0E-12
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

2
tests/QS/regtest-grid/Ar_non-ortho_grid_auto.inp → tests/QS/regtest-grid/simple_non-ortho_grid_auto.inp
View file

@ -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

2
tests/QS/regtest-grid/Ar_non-ortho_grid_dgemm.inp → tests/QS/regtest-grid/simple_non-ortho_grid_dgemm.inp
View file

@ -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

2
tests/QS/regtest-grid/Ar_non-ortho_grid_ref.inp → tests/QS/regtest-grid/simple_non-ortho_grid_ref.inp
View file

@ -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

2
tests/QS/regtest-grid/Ar_non-ortho_grid_validate.inp → tests/QS/regtest-grid/simple_non-ortho_grid_validate.inp
View file

@ -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

2
tests/QS/regtest-grid/Ar_ortho_grid_auto.inp → tests/QS/regtest-grid/simple_ortho_grid_auto.inp
View file

@ -53,6 +53,6 @@
&GRID
BACKEND AUTO
&END GRID
PROJECT Ar_ortho_grid_auto
PROJECT simple_ortho_grid_auto
PRINT_LEVEL MEDIUM
&END GLOBAL

2
tests/QS/regtest-grid/Ar_ortho_grid_dgemm.inp → tests/QS/regtest-grid/simple_ortho_grid_dgemm.inp
View file

@ -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

2
tests/QS/regtest-grid/Ar_ortho_grid_ref.inp → tests/QS/regtest-grid/simple_ortho_grid_ref.inp
View file

@ -53,6 +53,6 @@
&GRID
BACKEND REF
&END GRID
PROJECT Ar_ortho_grid_ref
PROJECT simple_ortho_grid_ref
PRINT_LEVEL MEDIUM
&END GLOBAL

2
tests/QS/regtest-grid/Ar_ortho_grid_validate.inp → tests/QS/regtest-grid/simple_ortho_grid_validate.inp
View file

@ -53,6 +53,6 @@
&GRID
VALIDATE .TRUE.
&END GRID
PROJECT Ar_ortho_grid_validate
PROJECT simple_ortho_grid_validate
PRINT_LEVEL MEDIUM
&END GLOBAL