BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES

[yu_meng]

Hello,
it appeared after submitting the assignment
BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
RANK 25 PID 55545 RUNNING AT node14
KILLED BY SIGNAL: 9 (Killed) This question.
This problem does not occur when Mn is adsorbed on Co(111), but it does occur when Cs is adsorbed. After the adsorption of Cs, some programs on the submission will run a few steps before this problem occurs, and some will directly terminate this problem. Attempts to lower the height of Cs and adjust the KPOINTS parameter still resulted in this error.
Similarly, Mn adsorption on Co2C(111) can also work normally, and this error will occur when Cs is adsorbed or Cs replaces Co. Can you provide a solution?
The iNCAR is as follows:
SYSTEM =Co2C

ENCUT = 400
#Ionic relaxation
EDIFF = 1E-5
EDIFFG = -0.02
PREC = Normal
NELM = 80
NELMIN = 4
SYMPREC=1E-04
IBRION = 2 # 1 or 2
NSW = 300 # static for 0
POTIM = 0.2
ALGO = Fast
GGA = PE
LREAL = AUTO.
LORBIT = 10
ISMEAR = 2
SIGMA = 0.2
ISPIN = 2
MAGMOM = 200*3 # Xiu gai shu l
LWAVE=.F.
LCHARG=.F.

IDIPOL= 3
ISIF = 2
NWRITE = 0
# DOS
NEDOS = 3000
EMIN = -30.0
EMAX = 30.0
# NBANDS = 200
Run error message:
[node14:55520:0:55520] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x2b74cb189000)
[node14:55521:0:55521] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x2b477529a000)
[node14:55535:0:55535] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x2b456b9fe000)
[node14:55543:0:55543] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x2b520dd19000)
[node14:55544:0:55544] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x2ae606640000)
[node14:55548:0:55548] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x2aecc2298000)
[node14:55549:0:55549] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x2abe08389000)
==== backtrace (tid: 55549) ====
0 0x00000000013ba495 mkl_pzheevx0_() :0
1 0x00000000013b71d7 pzheevx_() :0
2 0x0000000000435636 scala_mp_pdssyex_zheevx_() :0
3 0x0000000000d5482f subrot_mp_eddiag_() :0
4 0x0000000000ddcac4 elmin_() :0
5 0x00000000013639e9 MAIN__() :0
6 0x000000000040f3dd main() :0
7 0x0000000000022555 __libc_start_main() :0
8 0x000000000040f30b _start() :0
=================================
==== backtrace (tid: 55548) ====
0 0x00000000013ba495 mkl_pzheevx0_() :0
1 0x00000000013b71d7 pzheevx_() :0
2 0x0000000000435636 scala_mp_pdssyex_zheevx_() :0
3 0x0000000000d5482f subrot_mp_eddiag_() :0
4 0x0000000000ddcac4 elmin_() :0
5 0x00000000013639e9 MAIN__() :0
6 0x000000000040f3dd main() :0
7 0x0000000000022555 __libc_start_main() :0
8 0x000000000040f30b _start() :0
=================================
==== backtrace (tid: 55544) ====
0 0x00000000013ba495 mkl_pzheevx0_() :0
1 0x00000000013b71d7 pzheevx_() :0
2 0x0000000000435636 scala_mp_pdssyex_zheevx_() :0
3 0x0000000000d5482f subrot_mp_eddiag_() :0
4 0x0000000000ddcac4 elmin_() :0
5 0x00000000013639e9 MAIN__() :0
6 0x000000000040f3dd main() :0
7 0x0000000000022555 __libc_start_main() :0
8 0x000000000040f30b _start() :0
=================================
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
libpthread-2.17.s 00002AEA98BDC630 Unknown Unknown Unknown
vasp_std 00000000013BA495 Unknown Unknown Unknown
vasp_std 00000000013B71D7 Unknown Unknown Unknown
vasp_std 0000000000435636 Unknown Unknown Unknown
vasp_std 0000000000D5482F Unknown Unknown Unknown
vasp_std 0000000000DDCAC4 Unknown Unknown Unknown
vasp_std 00000000013639E9 Unknown Unknown Unknown
vasp_std 000000000040F3DD Unknown Unknown Unknown
libc-2.17.so 00002AEA9910D555 __libc_start_main Unknown Unknown
vasp_std 000000000040F30B Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
libpthread-2.17.s 00002ABBDEC61630 Unknown Unknown Unknown
vasp_std 00000000013BA495 Unknown Unknown Unknown
vasp_std 00000000013B71D7 Unknown Unknown Unknown
vasp_std 0000000000435636 Unknown Unknown Unknown
vasp_std 0000000000D5482F Unknown Unknown Unknown
vasp_std 0000000000DDCAC4 Unknown Unknown Unknown
vasp_std 00000000013639E9 Unknown Unknown Unknown
vasp_std 000000000040F3DD Unknown Unknown Unknown
libc-2.17.so 00002ABBDF192555 __libc_start_main Unknown Unknown
vasp_std 000000000040F30B Unknown Unknown Unknown

[andreas.singraber]

Hello!

Please read the information in the forum posting guidelines carefully and describe your problem and findings as detailed as possible. Your next forum post should also contain the input and output files (as already mentioned in my disapproval message for your previous attempt).

Best,
Andreas Singraber

[yu_meng]

Hello,
Appears after the job is submitted
BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
RANK 7 PID 55526 RUNNING AT node14
KILLED BY SIGNAL: 9 (Killed) This question.
The structure I calculated is that the surface of Co(111) adsorbs small CHx molecules, and the operation is normal after the adsorption of small CHx molecules is submitted, but this error always occurs when Cs element is added to the structure of Co(111) catalyst, and the operation is automatically terminated. Trying to lower the height of the Cs and adjust the KPOINTS parameter still causes this error. Similarly, this problem also occurs after the addition of Cs elements to the Co2C(111) catalyst structure. Can you provide a solution? he specific INCAR file and error report are attached, thank you.

[andreas.singraber]

Hello!

This is actually related to https://vasp.at/forum/viewtopic.php?t=19452, right? Please check if the update POTCAR file also resolves this issue, thank you!

Best,
Andreas Singraber