Loading Python environment Running rlaunch command 2019-04-25 00:37:26,861 INFO Hostname/IP lookup (this will take a few seconds) 2019-04-25 00:38:28,742 INFO Created new dir /home/zzhang/atomate/launcher_2019-04-24-16-38-28-732495 2019-04-25 00:38:28,750 INFO Launching Rocket 2019-04-25 00:38:33,276 INFO RUNNING fw_id: 21 in directory: /home/zzhang/atomate/launcher_2019-04-24-16-38-28-732495 2019-04-25 00:38:36,404 INFO Task started: FileWriteTask. 2019-04-25 00:38:36,450 INFO Task completed: FileWriteTask 2019-04-25 00:38:36,974 INFO Task started: {{atomate.vasp.firetasks.write_inputs.WriteVaspFromIOSet}}. 2019-04-25 00:38:37,196 INFO Task completed: {{atomate.vasp.firetasks.write_inputs.WriteVaspFromIOSet}} 2019-04-25 00:38:37,723 INFO Task started: {{atomate.vasp.firetasks.run_calc.RunVaspCustodian}}. 2019-04-25 00:39:42,219 INFO Task completed: {{atomate.vasp.firetasks.run_calc.RunVaspCustodian}} 2019-04-25 00:39:42,742 INFO Task started: {{atomate.common.firetasks.glue_tasks.PassCalcLocs}}. 2019-04-25 00:39:42,750 INFO Task completed: {{atomate.common.firetasks.glue_tasks.PassCalcLocs}} 2019-04-25 00:39:43,272 INFO Task started: {{atomate.vasp.firetasks.parse_outputs.VaspToDb}}. 2019-04-25 00:39:43,274 INFO atomate.vasp.firetasks.parse_outputs PARSING DIRECTORY: /home/zzhang/atomate/launcher_2019-04-24-16-38-28-732495 2019-04-25 00:39:43,275 INFO atomate.vasp.drones Getting task doc for base dir :/home/zzhang/atomate/launcher_2019-04-24-16-38-28-732495 2019-04-25 00:39:46,359 INFO atomate.vasp.drones Post-processing dir:/home/zzhang/atomate/launcher_2019-04-24-16-38-28-732495 2019-04-25 00:39:46,390 WARNING atomate.vasp.drones Transformations file does not exist. 2019-04-25 00:39:46,649 INFO atomate.vasp.drones Post-processed /home/zzhang/atomate/launcher_2019-04-24-16-38-28-732495 2019-04-25 00:39:56,621 INFO atomate.utils.database Inserting nid01463:/home/zzhang/atomate/launcher_2019-04-24-16-38-28-732495 with taskid = 1 2019-04-25 00:39:57,141 INFO atomate.vasp.firetasks.parse_outputs Finished parsing with task_id: 1 2019-04-25 00:39:57,156 INFO Task completed: {{atomate.vasp.firetasks.parse_outputs.VaspToDb}} 2019-04-25 00:40:01,887 INFO Rocket finished 2019-04-25 00:40:02,945 INFO Created new dir /home/zzhang/atomate/launcher_2019-04-24-16-40-02-937128 2019-04-25 00:40:02,949 INFO Launching Rocket 2019-04-25 00:40:07,134 INFO RUNNING fw_id: 20 in directory: /home/zzhang/atomate/launcher_2019-04-24-16-40-02-937128 2019-04-25 00:40:07,695 INFO Task started: FileWriteTask. 2019-04-25 00:40:07,726 INFO Task completed: FileWriteTask 2019-04-25 00:40:08,250 INFO Task started: {{atomate.vasp.firetasks.glue_tasks.CopyVaspOutputs}}. 2019-04-25 00:40:09,457 INFO Task completed: {{atomate.vasp.firetasks.glue_tasks.CopyVaspOutputs}} 2019-04-25 00:40:09,984 INFO Task started: {{atomate.vasp.firetasks.write_inputs.WriteVaspStaticFromPrev}}. 2019-04-25 00:40:12,019 INFO Task completed: {{atomate.vasp.firetasks.write_inputs.WriteVaspStaticFromPrev}} 2019-04-25 00:40:12,542 INFO Task started: {{atomate.vasp.firetasks.run_calc.RunVaspCustodian}}. 2019-04-25 00:40:47,032 INFO Task completed: {{atomate.vasp.firetasks.run_calc.RunVaspCustodian}} 2019-04-25 00:40:47,557 INFO Task started: {{atomate.common.firetasks.glue_tasks.PassCalcLocs}}. 2019-04-25 00:40:47,568 INFO Task completed: {{atomate.common.firetasks.glue_tasks.PassCalcLocs}} 2019-04-25 00:40:48,094 INFO Task started: {{atomate.vasp.firetasks.parse_outputs.VaspToDb}}. 2019-04-25 00:40:48,098 INFO atomate.vasp.firetasks.parse_outputs PARSING DIRECTORY: /home/zzhang/atomate/launcher_2019-04-24-16-40-02-937128 2019-04-25 00:40:48,098 INFO atomate.vasp.drones Getting task doc for base dir :/home/zzhang/atomate/launcher_2019-04-24-16-40-02-937128 2019-04-25 00:40:50,135 INFO atomate.vasp.drones Post-processing dir:/home/zzhang/atomate/launcher_2019-04-24-16-40-02-937128 2019-04-25 00:40:50,152 WARNING atomate.vasp.drones Transformations file does not exist. 2019-04-25 00:40:50,409 INFO atomate.vasp.drones Post-processed /home/zzhang/atomate/launcher_2019-04-24-16-40-02-937128 2019-04-25 00:40:57,042 INFO atomate.utils.database Inserting nid01463:/home/zzhang/atomate/launcher_2019-04-24-16-40-02-937128 with taskid = 2 2019-04-25 00:40:57,563 INFO atomate.vasp.firetasks.parse_outputs Finished parsing with task_id: 2 2019-04-25 00:40:57,589 INFO Task completed: {{atomate.vasp.firetasks.parse_outputs.VaspToDb}} 2019-04-25 00:41:02,283 INFO Rocket finished 2019-04-25 00:41:03,344 INFO Created new dir /home/zzhang/atomate/launcher_2019-04-24-16-41-03-333630 2019-04-25 00:41:03,350 INFO Launching Rocket 2019-04-25 00:41:07,521 INFO RUNNING fw_id: 19 in directory: /home/zzhang/atomate/launcher_2019-04-24-16-41-03-333630 2019-04-25 00:41:08,077 INFO Task started: FileWriteTask. 2019-04-25 00:41:08,120 INFO Task completed: FileWriteTask 2019-04-25 00:41:08,644 INFO Task started: {{atomate.vasp.firetasks.glue_tasks.CopyVaspOutputs}}. 2019-04-25 00:41:11,460 INFO Task completed: {{atomate.vasp.firetasks.glue_tasks.CopyVaspOutputs}} 2019-04-25 00:41:11,984 INFO Task started: {{atomate.vasp.firetasks.write_inputs.WriteVaspNSCFFromPrev}}. 2019-04-25 00:41:14,728 INFO Task completed: {{atomate.vasp.firetasks.write_inputs.WriteVaspNSCFFromPrev}} 2019-04-25 00:41:15,254 INFO Task started: {{atomate.vasp.firetasks.run_calc.RunVaspCustodian}}. Validation failed: 2019-04-25 00:41:32,213 INFO Rocket finished 2019-04-25 00:41:33,272 INFO Created new dir /home/zzhang/atomate/launcher_2019-04-24-16-41-33-265598 2019-04-25 00:41:33,277 INFO Launching Rocket 2019-04-25 00:41:37,446 INFO RUNNING fw_id: 18 in directory: /home/zzhang/atomate/launcher_2019-04-24-16-41-33-265598 2019-04-25 00:41:38,020 INFO Task started: FileWriteTask. 2019-04-25 00:41:38,056 INFO Task completed: FileWriteTask 2019-04-25 00:41:38,578 INFO Task started: {{atomate.vasp.firetasks.glue_tasks.CopyVaspOutputs}}. 2019-04-25 00:41:41,371 INFO Task completed: {{atomate.vasp.firetasks.glue_tasks.CopyVaspOutputs}} 2019-04-25 00:41:41,896 INFO Task started: {{atomate.vasp.firetasks.write_inputs.WriteVaspNSCFFromPrev}}. 2019-04-25 00:41:44,728 INFO Task completed: {{atomate.vasp.firetasks.write_inputs.WriteVaspNSCFFromPrev}} 2019-04-25 00:41:45,253 INFO Task started: {{atomate.vasp.firetasks.run_calc.RunVaspCustodian}}. 2019-04-25 00:42:39,992 INFO Task completed: {{atomate.vasp.firetasks.run_calc.RunVaspCustodian}} 2019-04-25 00:42:40,516 INFO Task started: {{atomate.common.firetasks.glue_tasks.PassCalcLocs}}. 2019-04-25 00:42:40,529 INFO Task completed: {{atomate.common.firetasks.glue_tasks.PassCalcLocs}} 2019-04-25 00:42:41,054 INFO Task started: {{atomate.vasp.firetasks.parse_outputs.VaspToDb}}. 2019-04-25 00:42:41,056 INFO atomate.vasp.firetasks.parse_outputs PARSING DIRECTORY: /home/zzhang/atomate/launcher_2019-04-24-16-41-33-265598 2019-04-25 00:42:41,059 INFO atomate.vasp.drones Getting task doc for base dir :/home/zzhang/atomate/launcher_2019-04-24-16-41-33-265598 2019-04-25 00:42:43,117 INFO atomate.vasp.drones Post-processing dir:/home/zzhang/atomate/launcher_2019-04-24-16-41-33-265598 2019-04-25 00:42:43,140 WARNING atomate.vasp.drones Transformations file does not exist. 2019-04-25 00:42:43,381 INFO atomate.vasp.drones Post-processed /home/zzhang/atomate/launcher_2019-04-24-16-41-33-265598 2019-04-25 00:42:50,271 INFO atomate.utils.database Inserting nid01463:/home/zzhang/atomate/launcher_2019-04-24-16-41-33-265598 with taskid = 3 2019-04-25 00:42:53,982 INFO atomate.vasp.firetasks.parse_outputs Finished parsing with task_id: 3 2019-04-25 00:42:53,997 INFO Task completed: {{atomate.vasp.firetasks.parse_outputs.VaspToDb}} 2019-04-25 00:42:57,652 INFO Rocket finished Traceback (most recent call last): File "/home/zzhang/atomate/atomate_env/lib/python3.6/site-packages/custodian/custodian.py", line 320, in run self._run_job(job_n, job) File "/home/zzhang/atomate/atomate_env/lib/python3.6/site-packages/custodian/custodian.py", line 428, in _run_job raise CustodianError(s, True, v) custodian.custodian.CustodianError: (CustodianError(...), 'Validation failed: ') During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/home/zzhang/atomate/atomate_env/lib/python3.6/site-packages/fireworks/core/rocket.py", line 262, in run m_action = t.run_task(my_spec) File "/home/zzhang/atomate/atomate_env/lib/python3.6/site-packages/atomate/vasp/firetasks/run_calc.py", line 205, in run_task c.run() File "/home/zzhang/atomate/atomate_env/lib/python3.6/site-packages/custodian/custodian.py", line 330, in run .format(self.total_errors, ex)) RuntimeError: 0 errors reached: (CustodianError(...), 'Validation failed: '). Exited... /home/zzhang/atomate/atomate_env/lib/python3.6/site-packages/pymatgen/symmetry/bandstructure.py:62: UserWarning: The input structure does not match the expected standard primitive! The path can be incorrect. Use at your own risk. warnings.warn("The input structure does not match the expected standard primitive! "