Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Sign in
Toggle navigation
Menu
Open sidebar
RelaxSE
RelaxSE-Code
Commits
94285bc1
Commit
94285bc1
authored
Feb 02, 2022
by
Elisa Rebolini
Browse files
test prop
parent
b7104bfd
Pipeline
#12407
passed with stage
in 25 minutes and 24 seconds
Changes
6
Pipelines
1
Expand all
Hide whitespace changes
Inline
Side-by-side
cmake/TestsRelaxSE.cmake
View file @
94285bc1
...
...
@@ -64,3 +64,13 @@ if(ENABLE_MPI)
add_runtest
(
CuO_03450_smallbatch_MPIload
)
add_runtest
(
CuO_03450_smallbatch_noMPIload
)
endif
()
if
(
ENABLE_DEV
)
add_test
(
NAME prop_CuO_02204
COMMAND python3
${
CMAKE_SOURCE_DIR
}
/test/CuO_02204/test_prop --binary-dir=
${
CMAKE_BINARY_DIR
}
--work-dir=
${
CMAKE_BINARY_DIR
}
/test/CuO_02204 --verbose --log=
${
CMAKE_BINARY_DIR
}
/test/CuO_02204/runtest.stderr.logprop
)
set_tests_properties
(
prop_CuO_02204 PROPERTIES
RUNTIME_OUTPUT_DIRECTORY
${
CMAKE_BINARY_DIR
}
/test/CuO_02204
)
endif
()
src/prop.F90
View file @
94285bc1
...
...
@@ -306,7 +306,8 @@ Program proprietes
deallocate
(
shtblkdet
,
nblkdet
,
deter_index
)
deallocate
(
det
)
deallocate
(
psi
,
ener
)
deallocate
(
whichprop
)
if
(
nprop
.ne.
0
)
deallocate
(
whichprop
)
call
gettime
(
tend
,
wend
)
...
...
test/CuO_02204/result/cuo.propout
0 → 100644
View file @
94285bc1
This diff is collapsed.
Click to expand it.
test/CuO_02204/test_prop
0 → 100644
View file @
94285bc1
#!/usr/bin/env python
import
os
import
sys
sys
.
path
.
append
(
os
.
path
.
join
(
os
.
path
.
dirname
(
__file__
),
'..'
,
'..'
))
sys
.
path
.
append
(
os
.
path
.
join
(
os
.
path
.
dirname
(
__file__
),
'..'
))
from
runtest_relaxse
import
Filter
,
TestRun
test
=
TestRun
(
__file__
,
sys
.
argv
)
f
=
Filter
()
f
.
add
(
string
=
' 41 41'
,
abs_tolerance
=
1.0e-10
)
f
.
add
(
string
=
'45 42'
,
abs_tolerance
=
1.0e-6
)
test
.
run
([
'cuo.input'
],
{
'propout'
:
f
},
prop
=
True
)
sys
.
exit
(
test
.
return_code
)
test/CuO_20240/test
0 → 100755
View file @
94285bc1
#!/usr/bin/env python
import
os
import
sys
sys
.
path
.
append
(
os
.
path
.
join
(
os
.
path
.
dirname
(
__file__
),
'..'
,
'..'
))
sys
.
path
.
append
(
os
.
path
.
join
(
os
.
path
.
dirname
(
__file__
),
'..'
))
from
runtest_relaxse
import
Filter
,
TestRun
test
=
TestRun
(
__file__
,
sys
.
argv
)
f
=
Filter
()
f
.
add
(
string
=
'Energies :'
,
abs_tolerance
=
1.0e-10
)
f
.
add
(
string
=
'|Hv-Ev| :'
,
abs_tolerance
=
1.0e-6
)
test
.
run
([
'cuo.input'
],
{
'out'
:
f
})
sys
.
exit
(
test
.
return_code
)
test/runtest_relaxse.py
View file @
94285bc1
...
...
@@ -34,9 +34,12 @@ class TestRun(runtest.TestRun):
runtest
.
TestRun
.
__init__
(
self
,
_file
,
argv
)
self
.
return_code
=
0
def
run
(
self
,
inp_files
,
f
=
None
,
args
=
''
,
mpi
=
''
,
accepted_errors
=
[]):
def
run
(
self
,
inp_files
,
f
=
None
,
args
=
''
,
mpi
=
''
,
prop
=
False
,
accepted_errors
=
[]):
launch_script
=
os
.
path
.
normpath
(
os
.
path
.
join
(
self
.
binary_dir
,
'relaxse.x'
))
if
prop
:
launch_script
=
os
.
path
.
normpath
(
os
.
path
.
join
(
self
.
binary_dir
,
'prop.x'
))
else
:
launch_script
=
os
.
path
.
normpath
(
os
.
path
.
join
(
self
.
binary_dir
,
'relaxse.x'
))
if
self
.
skip_run
:
sys
.
stdout
.
write
(
'
\n
skipping actual run
\n
'
)
else
:
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment