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remove setting environment variable
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JaGeo committed Oct 4, 2024
1 parent 77cd627 commit fb24c14
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions autoplex/fitting/common/utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -1687,7 +1687,7 @@ def run_gap(num_processes_fit: int, parameters) -> None:
GAP fit parameters.
"""
os.environ["OMP_NUM_THREADS"] = str(num_processes_fit)
#os.environ["OMP_NUM_THREADS"] = str(num_processes_fit)

with open("std_gap_out.log", "w", encoding="utf-8") as file_std, open(
"std_gap_err.log", "w", encoding="utf-8"
Expand All @@ -1713,7 +1713,7 @@ def run_quip(
Name of the output file.
"""
os.environ["OMP_NUM_THREADS"] = str(num_processes_fit)
#os.environ["OMP_NUM_THREADS"] = str(num_processes_fit)

init_args = "init_args='IP Glue'" if glue_xml else ""
quip = (
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