I have been trying to find the binding energy of a water molecule with a crystalline silica slab and want to use vasp. whenever I try to use vasp for this purpose i get this error. Also, can someone point out how to find the binding energy(dispersion corrected) for a succesful vasp run.
INCAR file
SYSTEM = SCF of deprotonated silanol site
NWRITE = 2
PREC = Accurate
Startparameter for this Run:
ISTART = 0 #Default: ISTART = 1 if WAVECAR exists, = 0 else
ICHARG = 2 #Default: ICHARG = 2 if ISTART=0, = 0 else
#ISPIN = 1
Write flags
NCORE = 4 have all processors work on same wave functions
LPLANE = .TRUE. distribute each wave over processors
LWAVE = .FALSE. do not write WAVECAR file
LCHARG = .FALSE. do not write CHGCAR file
Electronic Relaxation 1
# ENCUT = largest ENMAX from POTCAR-file
EDIFF = 1.00E-05 # stopping-criterion for ELM
LREAL = A # real-space projection
Ionic relaxation
EDIFFG = -0.001 # stopping-criterion for IOM
ISMEAR = 0
SIGMA = 0.05
NSW = 0
IBRION = -1
ISIF = 2
ISYM = 0
Electronic relaxation 2
ALGO = Normal
vdW corrections
IVDW = 11
Exchange correlation treatment:
GGA = PE
vasp log file :
DAV: 35 -0.398634684225E+04 -0.90636E-03 -0.26555E-03 15140 0.211E-02 0.142E-01
DAV: 36 -0.398634820622E+04 -0.13640E-02 -0.19706E-04 14710 0.141E-02 0.128E-01
DAV: 37 -0.398634870970E+04 -0.50349E-03 -0.33971E-04 12830 0.112E-02 0.100E-01
DAV: 38 -0.398634950378E+04 -0.79408E-03 -0.26015E-04 13120 0.950E-03 0.502E-02
DAV: 39 -0.398635001301E+04 -0.50923E-03 -0.12996E-04 10720 0.763E-03 0.926E-02
DAV: 40 -0.398635017043E+04 -0.15741E-03 -0.44403E-05 9740 0.507E-03 0.805E-02
DAV: 41 -0.398635035368E+04 -0.18326E-03 -0.80287E-05 10390 0.484E-03 0.388E-02
DAV: 42 -0.398635060039E+04 -0.24671E-03 -0.29288E-05 9470 0.397E-03 0.262E-02
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= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 20 PID 31874 RUNNING AT r15r20n02
= KILLED BY SIGNAL: 9 (Killed)
===================================================================================
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 21 PID 31875 RUNNING AT r15r20n02
= KILLED BY SIGNAL: 9 (Killed)
===================================================================================
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 22 PID 31876 RUNNING AT r15r20n02
= KILLED BY SIGNAL: 9 (Killed)
===================================================================================
the system contains 630 atoms.