update

alchemistry · Jun 3, 2024 · 0f9ddae · 0f9ddae
1 parent d5fe5dd
commit 0f9ddae
Showing 1 changed file with 4 additions and 4 deletions.
diff --git a/src/alchemlyb/workflows/abfe.py b/src/alchemlyb/workflows/abfe.py
@@ -151,7 +151,7 @@ def extract_u_nk(_extract_u_nk, file, T):
  logger.error(msg)
  raise OSError(msg) from exc
 
- u_nk_list = Parallel(n_jobs=n_jobs)(
+ u_nk_list = Parallel(n_jobs=n_jobs, backend="threading")(
  delayed(extract_u_nk)(self._extract_u_nk, file, self.T)
  for file in self.file_list
  )
@@ -170,7 +170,7 @@ def extract_dHdl(_extract_dHdl, file, T):
  logger.error(msg)
  raise OSError(msg) from exc
 
- dHdl_list = Parallel(n_jobs=n_jobs)(
+ dHdl_list = Parallel(n_jobs=n_jobs, backend="threading")(
  delayed(extract_dHdl)(self._extract_dHdl, file, self.T)
  for file in self.file_list
  )
@@ -380,7 +380,7 @@ def _decorrelate_u_nk(u_nk, skiptime, threshold, index):
  )
  return subsample
 
- self.u_nk_sample_list = Parallel(n_jobs=n_jobs)(
+ self.u_nk_sample_list = Parallel(n_jobs=n_jobs, backend="threading")(
  delayed(_decorrelate_u_nk)(u_nk, skiptime, threshold, index)
  for index, u_nk in enumerate(self.u_nk_list)
  )
@@ -407,7 +407,7 @@ def _decorrelate_dhdl(dHdl, skiptime, threshold, index):
  )
  return subsample
 
- self.dHdl_sample_list = Parallel(n_jobs=n_jobs)(
+ self.dHdl_sample_list = Parallel(n_jobs=n_jobs, backend="threading")(
  delayed(_decorrelate_dhdl)(dHdl, skiptime, threshold, index)
  for index, dHdl in enumerate(self.dHdl_list)
  )