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kkr
jukkr
Commits
b4929d6a
Commit
b4929d6a
authored
3 years ago
by
Philipp Rüssmann
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Verbose test run for KKRnano
parent
eb35cc8f
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source/KKRnano/regtests/tests.py
+4
-1
4 additions, 1 deletion
source/KKRnano/regtests/tests.py
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4 additions
and
1 deletion
source/KKRnano/regtests/tests.py
+
4
−
1
View file @
b4929d6a
...
...
@@ -21,12 +21,14 @@ ShowMD5 = True
AllMPIs
=
1
# 1=Yes, 0=No
HighLmax
=
True
testNocoSOC
=
True
verbose
=
Fals
e
verbose
=
Tru
e
MPIEXEC
=
'
mpirun
'
# 'srun'
def
run_it
(
cmd
):
"""
Run cmd, suppressing output. Returns output from stdout and exit code
"""
start_time
=
time
.
time
()
if
verbose
:
print
'
start running comman
"
{0}
"
at {1}
'
.
format
(
cmd
,
start_time
)
proc
=
subprocess
.
Popen
(
cmd
,
stdout
=
subprocess
.
PIPE
,
close_fds
=
True
,
preexec_fn
=
os
.
setsid
,
shell
=
True
)
out
,
err
=
proc
.
communicate
()
end_time
=
time
.
time
()
...
...
@@ -48,6 +50,7 @@ def KKRnano(inputdir, nranks=DEFAULT_nranks, nthreads=DEFAULT_nthreads, solver=D
"""
Run KKR-calculation with input from
'
inputdir
'
and returns the total energy
"""
if
verbose
:
print
"
start KKR for
"
,
inputdir
,
"
with lmax=
"
,
lmax
,
"
, solver=
"
,
solver
,
"
, nthreads=
"
,
nthreads
,
"
nranks=
"
,
nranks
print
'
test dir:
'
,
TESTDIR
out
,
err
,
tim
=
run_it
(
"
./clearfiles.sh
"
)
global
ShowMD5
...
...
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Philipp Rüssmann
@ruess
mentioned in commit
cbb5645d
·
2 years ago
mentioned in commit
cbb5645d
mentioned in commit cbb5645d48afdad6e29c449ffb1dc770c3ecb55f
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