def test_seg_fault(self):
vi = VaspInput.from_directory(".")
from custodian.vasp.interpreter import VaspModder
VaspModder(vi=vi).apply_actions([{
"dict": "INCAR",
"action": {
"_set": {
"KPAR": 4
}
}
}])
h = StdErrHandler("std_err.txt.seg_fault", correct_seg_fault=True)
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['seg_fault'])
self.assertEqual(d["actions"], [{
'dict': 'INCAR',
'action': {
'_set': {
'ISMEAR': '0'
}
}
}])
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['seg_fault'])
# no fix if still seg fault
self.assertEqual(d["actions"], [])
def test_lrf_comm(self):
h = StdErrHandler("std_err.txt")
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['lrf_comm'])
vi = VaspInput.from_directory(".")
self.assertEqual(vi["INCAR"]["ISTART"], 1)
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['lrf_comm'])
self.assertEqual(d["actions"], []) # don't correct twice
def test_lrf_comm(self):
h = StdErrHandler("std_err.txt")
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['lrf_comm'])
vi = VaspInput.from_directory(".")
self.assertEqual(vi["INCAR"]["ISTART"], 1)
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['lrf_comm'])
self.assertEqual(d["actions"], []) # don't correct twice
def test_kpoints_trans(self):
h = StdErrHandler("std_err.txt.kpoints_trans")
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['kpoints_trans'])
self.assertEqual(d["actions"],
[{u'action': {u'_set':
{u'kpoints': [[4, 4, 4]]}},
u'dict': u'KPOINTS'}])
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['kpoints_trans'])
self.assertEqual(d["actions"], []) # don't correct twice
def test_kpoints_trans(self):
h = StdErrHandler("std_err.txt.kpoints_trans")
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['kpoints_trans'])
self.assertEqual(d["actions"],
[{u'action': {u'_set':
{u'kpoints': [[4, 4, 4]]}},
u'dict': u'KPOINTS'}])
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['kpoints_trans'])
self.assertEqual(d["actions"], []) # don't correct twice
def test_seg_fault(self):
vi = VaspInput.from_directory(".")
from custodian.vasp.interpreter import VaspModder
VaspModder(vi=vi).apply_actions([{"dict": "INCAR",
"action": {"_set": {"KPAR": 4}}}])
h = StdErrHandler("std_err.txt.seg_fault", correct_seg_fault=True)
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['seg_fault'])
self.assertEqual(d["actions"],
[{'dict': 'INCAR',
'action': {'_set': {'ISMEAR': '0'}}}])
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['seg_fault'])
# no fix if still seg fault
self.assertEqual(d["actions"], [])
def test_oom(self):
vi = VaspInput.from_directory(".")
from custodian.vasp.interpreter import VaspModder
VaspModder(vi=vi).apply_actions([{"dict": "INCAR",
"action": {"_set": {"KPAR": 4}}}])
h = StdErrHandler("std_err.txt.oom", correct_out_of_memory=True)
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['out_of_memory'])
self.assertEqual(d["actions"],
[{'dict': 'INCAR',
'action': {'_set': {'KPAR': 2}}}])
h = StdErrHandler("std_err.txt.oom2", correct_out_of_memory=True)
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['out_of_memory'])
self.assertEqual(d["actions"],
[{'dict': 'INCAR',
'action': {'_set': {'KPAR': 1}}}])
vi = VaspInput.from_directory(".")
from custodian.vasp.interpreter import VaspModder
VaspModder(vi=vi).apply_actions([{"dict": "INCAR",
"action": {"_set": {"KPAR": 4}}}])
h = StdErrHandler("std_err.txt.emlsp", correct_out_of_memory=True)
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['out_of_memory'])
self.assertEqual(d["actions"],
[{'dict': 'INCAR',
'action': {'_set': {'KPAR': 2}}}])
vi = VaspInput.from_directory(".")
from custodian.vasp.interpreter import VaspModder
VaspModder(vi=vi).apply_actions([{"dict": "INCAR",
"action": {"_set": {"KPAR": 4}}}])
h = StdErrHandler("std_err.txt.insufficient_mem", correct_out_of_memory=True)
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['out_of_memory'])
self.assertEqual(d["actions"],
[{'dict': 'INCAR',
'action': {'_set': {'KPAR': 2}}}])
def test_oom(self):
vi = VaspInput.from_directory(".")
from custodian.vasp.interpreter import VaspModder
VaspModder(vi=vi).apply_actions([{"dict": "INCAR",
"action": {"_set": {"KPAR": 4}}}])
h = StdErrHandler("std_err.txt.oom")
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ['out_of_memory'])
self.assertEqual(d["actions"],
[{'dict': 'INCAR',
'action': {'_set': {'KPAR': 2}}}])
def test_kpoints_trans(self):
h = StdErrHandler("std_err.txt.kpoints_trans")
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ["kpoints_trans"])
self.assertEqual(
d["actions"],
[{
"action": {
"_set": {
"kpoints": [[4, 4, 4]]
}
},
"dict": "KPOINTS"
}],
)
self.assertEqual(h.check(), True)
d = h.correct()
self.assertEqual(d["errors"], ["kpoints_trans"])
self.assertEqual(d["actions"], []) # don't correct twice
