Dear Dr. Montoya,
the log looks OK, the jobs starts, and craches after vasp starts and not finding the INCAR, POTCAR .... the job directory after the crash contain only : atomate-2562062.error block_2018-08-10-15-08-49-829801 vasp.log
atomate-2562062.out FW_submit.script
while in rapidfire loaded from rocket, I can find all VASP files, POSCAR, INCAR ...
python running :
from fireworks import Firework, FWorker, LaunchPad
from fireworks.queue.queue_launcher import rapidfire
from atomate.vasp.firetasks.run_calc import RunVaspCustodian, RunVaspFake, RunVaspDirect, RunNoVasp
from fireworks.utilities.fw_serializers import load_object_from_file
#from atomate.vasp.powerups import remove_custodian
queueadapter = load_object_from_file("/lustre/home/elbentr81/auto-dir/my_qadapter.yaml")
launchpad =LaunchPad(host='ds247061.mlab.com', port=***, name='tatitechno', username= 'tayeb', password='****')
if __name__ == "__main__":
rapidfire(launchpad, FWorker(), queueadapter , launch_dir='.', nlaunches=2, njobs_queue=4,
njobs_block=500, sleep_time=None, reserve=False, strm_lvl='INFO', timeout=None,
fill_mode=False)
I get:
/lustre/home/elbentr81/anaconda3/lib/python3.6/site-packages/pymatgen/__init__.py:35: UserWarning: With effect from pmg 5.0, all pymatgen settings are prefixed with a "PMG_". E.g., "PMG_VASP_PSP_DIR" instead of "VASP_PSP_DIR".
warnings.warn('With effect from pmg 5.0, all pymatgen settings are'
2018-08-10 20:15:07,039 INFO getting queue adapter
2018-08-10 20:15:07,039 INFO Found previous block, using /lustre/home/elbentr81/atomate/block_2018-08-10-15-07-03-101203
2018-08-10 20:15:08,232 INFO The number of jobs currently in the queue is: 0
2018-08-10 20:15:08,233 INFO 0 jobs in queue. Maximum allowed by user: 0
2018-08-10 20:15:09,349 INFO Launching a rocket!
2018-08-10 20:15:10,452 INFO Created new dir /lustre/home/elbentr81/atomate/block_2018-08-10-15-07-03-101203/launcher_2018-08-10-17-15-10-451541
2018-08-10 20:15:10,452 INFO moving to launch_dir /lustre/home/elbentr81/atomate/block_2018-08-10-15-07-03-101203/launcher_2018-08-10-17-15-10-451541
2018-08-10 20:15:10,454 INFO submitting queue script
2018-08-10 20:15:11,625 INFO Job submission was successful and job_id is 2562066
2018-08-10 20:15:11,626 INFO Sleeping for 5 seconds...zzz...
2018-08-10 20:15:17,736 INFO Launching a rocket!
2018-08-10 20:15:18,842 INFO Created new dir /lustre/home/elbentr81/atomate/block_2018-08-10-15-07-03-101203/launcher_2018-08-10-17-15-18-841873
2018-08-10 20:15:18,842 INFO moving to launch_dir /lustre/home/elbentr81/atomate/block_2018-08-10-15-07-03-101203/launcher_2018-08-10-17-15-18-841873
2018-08-10 20:15:18,845 INFO submitting queue script
2018-08-10 20:15:20,067 INFO Job submission was successful and job_id is 2562067
2018-08-10 20:15:20,068 INFO Launched allowed number of jobs: 2
###########################################
atomate-2562062.out
<<FW_ auto Tayeb>>
2018-08-10 18:08:49,828 INFO getting queue adapter
2018-08-10 18:08:49,830 INFO Created new dir /lustre/home/elbentr81/atomate/block_2018-08-10-15-07-03-101203/launcher_2018-08-10-15-08-45-061561/block_2018-08-10-15-08-49-829801
2018-08-10 18:08:49,853 INFO The number of jobs currently in the queue is: 1
2018-08-10 18:08:49,854 INFO 1 jobs in queue. Maximum allowed by user: 4
OMP_NUM_THREADS= 1
######################################
atomate-2562062.error
/lustre/home/elbentr81/anaconda3/lib/python3.6/site-packages/pymatgen/__init__.py:35: UserWarning: With effect from pmg 5.0, all pymatgen settings are prefixed with a "PMG_". E.g., "PMG_VASP_PSP_DIR" instead of "VASP_PSP_DIR".
warnings.warn('With effect from pmg 5.0, all pymatgen settings are'
Thank you very much for your Help !