Invalid digit error
Posted: Wed Apr 11, 2018 3:47 am
Dear all:
I've confronted some errors when I run my script by the VASP of 5.4.4 version, please help me figure out why they happened.
Thank you!!
-----------------------------------Log file------------------------------------------------------------------
running on 2048 total cores
distrk: each k-point on 2048 cores, 1 groups
distr: one band on 16 cores, 128 groups
using from now: INCAR
vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Jan 30 2018 21:11:38) complex
"pseudo.f90", line 293: 1525-097 A READ statement using decimal base input found the invalid digit 'M' in the input file. The program will recover by assuming a zero in its place.
"pseudo.f90", line 343: 1525-097 A READ statement using decimal base input found the invalid digit 'M' in the input file. The program will recover by assuming a zero in its place.
"pseudo.f90", line 346: 1525-097 A READ statement using decimal base input found the invalid digit 'M' in the input file. The program will recover by assuming a zero in its place.
---------------------------------INCAR-------------------------------------------------------------------------
SYSTEM =50MgO-50SiO2-3500K
ALGO = VeryFast
PREC = Normal
MAXMIN = 100
ENCUT = 600
NELMIN = 4
NELM = 40
EDIFF = 5E-7
EDIFFG = -1E-2
IBRION =0
POTIM = 1.0
NSW =200
TEBEG=3500
SMASS=1
ISIF=2
IWAVPR=11
ISYM = 0
ISTART =0
ICHARG =2
ISMEAR = 0
SIGMA=0.1
LREAL =Auto
LCHARG = .TRUE.
GGA = PS
LPLANE=.TRUE.
NCORE=16
LSCALU=.FALSE.
NSIM=4
-----------------------------KPOINT-----------------------------------------------------------------------
automatic mesh
0
G
1 1 1
0 0 0
------------------------Initial part of POSCAR------------------------------------------------------------
SYSTEME 50MgO-50SiO2-3500K
16.9500000000000
1.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 1.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 1.0000000000000000
O Si Mg
240 80 80
Direct
0.594118 0.851764 0.00276688
----------------------------------------------------------------------------------------------------------------
I've confronted some errors when I run my script by the VASP of 5.4.4 version, please help me figure out why they happened.
Thank you!!
-----------------------------------Log file------------------------------------------------------------------
running on 2048 total cores
distrk: each k-point on 2048 cores, 1 groups
distr: one band on 16 cores, 128 groups
using from now: INCAR
vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Jan 30 2018 21:11:38) complex
"pseudo.f90", line 293: 1525-097 A READ statement using decimal base input found the invalid digit 'M' in the input file. The program will recover by assuming a zero in its place.
"pseudo.f90", line 343: 1525-097 A READ statement using decimal base input found the invalid digit 'M' in the input file. The program will recover by assuming a zero in its place.
"pseudo.f90", line 346: 1525-097 A READ statement using decimal base input found the invalid digit 'M' in the input file. The program will recover by assuming a zero in its place.
---------------------------------INCAR-------------------------------------------------------------------------
SYSTEM =50MgO-50SiO2-3500K
ALGO = VeryFast
PREC = Normal
MAXMIN = 100
ENCUT = 600
NELMIN = 4
NELM = 40
EDIFF = 5E-7
EDIFFG = -1E-2
IBRION =0
POTIM = 1.0
NSW =200
TEBEG=3500
SMASS=1
ISIF=2
IWAVPR=11
ISYM = 0
ISTART =0
ICHARG =2
ISMEAR = 0
SIGMA=0.1
LREAL =Auto
LCHARG = .TRUE.
GGA = PS
LPLANE=.TRUE.
NCORE=16
LSCALU=.FALSE.
NSIM=4
-----------------------------KPOINT-----------------------------------------------------------------------
automatic mesh
0
G
1 1 1
0 0 0
------------------------Initial part of POSCAR------------------------------------------------------------
SYSTEME 50MgO-50SiO2-3500K
16.9500000000000
1.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 1.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 1.0000000000000000
O Si Mg
240 80 80
Direct
0.594118 0.851764 0.00276688
----------------------------------------------------------------------------------------------------------------