Commit 9bd1d423 authored by Marc Arene's avatar Marc Arene
Browse files

Computing correctly the number of traj left to run to finish phase3

parent f97e800c
...@@ -1397,10 +1397,10 @@ if __name__ == '__main__': ...@@ -1397,10 +1397,10 @@ if __name__ == '__main__':
break_before_enough_sis = False break_before_enough_sis = False
break break
else: else:
n_traj_left_to_run_a_priori = sampler.n_sis * ACLmax - traj_index n_traj_left_to_run_a_priori = sampler.n_sis * ACLmax - len(sampler.samples)
n_traj_to_check_sis = min(CONST.N_TRAJ_TO_CHECK_SIS_DEFAULT, n_traj_left_to_run_a_priori) n_traj_to_check_sis = min(CONST.N_TRAJ_TO_CHECK_SIS_DEFAULT, n_traj_left_to_run_a_priori)
next_traj_to_check_sis = traj_index + n_traj_to_check_sis next_traj_to_check_sis = traj_index + n_traj_to_check_sis
cut.logger.info(f' Missing {n_sis_to_get} SIS => continuing phase3 for ~{n_traj_left_to_run_a_priori}. Next check in {n_traj_to_check_sis} traj.') cut.logger.info(f' Missing {n_sis_to_get} SIS => continuing phase3 for ~{n_traj_left_to_run_a_priori}. Next check in {n_traj_to_check_sis} traj at trajectory #{next_traj_to_check_sis}.')
if traj_index % CONST.N_TRAJ_TO_SAVE_STATE == 0 and traj_index != idx_start_phase3: if traj_index % CONST.N_TRAJ_TO_SAVE_STATE == 0 and traj_index != idx_start_phase3:
......
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