diff --git a/neb/autoneb_run.py b/neb/autoneb_run.py index d18cf62..ff6d078 100644 --- a/neb/autoneb_run.py +++ b/neb/autoneb_run.py @@ -193,6 +193,7 @@ def run(self, optimizer=FIRE, fmax=0.05, climb=True, smooth_curve=False): for num, image in enumerate(running_chain): index = f"{num:03d}" write(f"{self.prefix}{index}.traj", image, format="traj") + world.barrier() autoneb = AutoNEB(self.attach_calculators, self.prefix, self.n_simul, self.n_max, fmax=fmax, climb=climb, k = self.k, method=self.algorism, parallel=self.parallel,