How to set NSW of INCAR in 02.fp? #669
Unanswered
McAlexDudu
asked this question in
Q&A
Replies: 2 comments
-
I set NSW=100 and seem to fail after evaluate the converged. "find too many unsuccessfully terminated jobs. Too many FP tasks are not converged. Please check your input parameters (e.g. INCAR) or configuration (e.g. POSCAR) in directories 'iter../02.fp/task../.'")" |
Beta Was this translation helpful? Give feedback.
0 replies
-
I change NSW=1 and seem to work, but them I got another error seem to relate to lammps timestep? "ERROR: Lost atoms: original 50 current 49 (src/thermo.cpp:427)" I decide to change "model_devi_dt" from 0.002 to 0.001 now and run again. |
Beta Was this translation helpful? Give feedback.
0 replies
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Uh oh!
There was an error while loading. Please reload this page.
-
Hi~ Since I set dpgen run AIMD in vasp during task 02.fp, but how long should I run to make sure the data can put in the training set again?I set NSW=20000, and start 20 vasp task, it seem to cost a lot of time. or can I set the NSW equal to 01.MD's steps?
Beta Was this translation helpful? Give feedback.
All reactions