Commit b6bb43e4 authored by Malthe Kjær Bisbo's avatar Malthe Kjær Bisbo
Browse files

Added error handling for when evaluation fails repeatedly

parent c34665a0
......@@ -297,7 +297,7 @@ class GOFEE():
t4 = time()
kappa = self.kappa
a_add = []
for _ in range(5):
for _ in range(3):
try:
anew = self.select_with_acquisition(relaxed_candidates, kappa)
anew = self.evaluate(anew)
......@@ -311,6 +311,8 @@ class GOFEE():
kappa /=2
if self.master:
traceback.print_exc(file=sys.stderr)
else:
raise RuntimeError('Evaluation failed repeatedly - It might help to constrain the atomic positions during search.')
self.gpr.memory.save_data(a_add)
# log timing
......
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