diff --git a/dpgen/data/reaction.py b/dpgen/data/reaction.py index a76766846..f1d38bccd 100644 --- a/dpgen/data/reaction.py +++ b/dpgen/data/reaction.py @@ -116,13 +116,9 @@ def link_trj(jdata): def run_build_dataset(jdata, mdata, log_file="build_log"): work_path = build_path - # compatible with new dpdispatcher and old dpgen.dispatcher - build_ntasks = mdata["build_resources"].get( - "cpu_per_node", mdata["build_resources"]["task_per_node"] - ) - fp_ntasks = mdata["fp_resources"].get( - "cpu_per_node", mdata["fp_resources"]["task_per_node"] - ) + # only compatible with new dpdispatcher + build_ntasks = mdata["build_resources"]["cpu_per_node"] + fp_ntasks = mdata["fp_resources"]["cpu_per_node"] build_command = '{cmd} -n {dataset_name} -a {type_map} -d {lammpstrj} -c {cutoff} -s {dataset_size} -k "{qmkeywords}" --nprocjob {nprocjob} --nproc {nproc}'.format( cmd=mdata["build_command"], type_map=" ".join(jdata["type_map"]),