From e086219624181a1b9ac9c44aa291808a54887171 Mon Sep 17 00:00:00 2001 From: qzhu2017 Date: Sun, 3 Nov 2024 16:18:46 -0500 Subject: [PATCH] force the tag to be in lower case --- pyxtal/optimize/base.py | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/pyxtal/optimize/base.py b/pyxtal/optimize/base.py index 2ebfee8..59840d8 100644 --- a/pyxtal/optimize/base.py +++ b/pyxtal/optimize/base.py @@ -56,9 +56,11 @@ def handler(signum, frame): #logger.info(f"Rank-{args[-2]} after signal") try: - logger.info(f"Rank-{args[-2]} running optimizer_par for PID {os.getpid()}") + if args[-2] > 0: + logger.info(f"Rank-{args[-2]} running optimizer_par for PID {os.getpid()}") result = optimizer_par(*args[:-2]) - logger.info(f"Rank-{args[-2]} finished optimizer_par for PID {os.getpid()}") + if args[-2] > 0: + logger.info(f"Rank-{args[-2]} finished optimizer_par for PID {os.getpid()}") signal.alarm(0) # Disable the alarm return result except TimeoutError: @@ -291,7 +293,7 @@ def __init__( self.early_quit = early_quit self.N_min_matches = 10 # The min_num_matches for early termination self.E_max = E_max - self.tag = tag + self.tag = tag.lower() self.suffix = f"{self.workdir:s}/{self.name:s}-{self.ff_style:s}" if self.rank == 0: if cif is None: