Strange Output Error

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Strange Output Error

Postby des » Fri Nov 25, 2005 8:26 pm

Hello everyone,
I use the same input files for different types of calculations. But I got this strange output file which I have ever seen before. Is there any one who can tell me where the problem is ?
I used INCAR file as
ISYM = 2
PREC= High
ENCUT= 400
ALGO= Very_Fast
ISMEAR=0
SIGMA=0.1
NSW=200
IBRION= 2
ISIF=2
LREAL= Auto
ROPT= -0.0004 -0.0004 -0.0004 -0.0004

----------------------------------------------------

Warning: no access to tty (Bad file descriptor).
Thus no job control in this shell.
vasp.4.6.28 25Jul05 complex
POSCAR found : 4 types and 72 ions
LDA part: xc-table for Pade appr. of Perdew
found WAVECAR, reading the header
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... 9
reading WAVECAR
the WAVECAR file was read sucessfully
initial charge from wavefunction
entering main loop
N E dE d eps ncg rms rms(c)
RMM: 1 -0.394237717306E+03 -0.39424E+03 -0.42198E-04 1650 0.323E-02 0.236E-02
num prob num prob num prob RMM: 2 -0.394237680148E+03 0.37158E-04 -0.60858E-05 1305 0.148E-02
1 F= -.39423768E+03 E0= -.39423768E+03 d E =-.394238E+03
curvature: 0.00 expect dE= 0.000E+00 dE for cont linesearch 0.000E+00
trial: gam= 0.00000 g(F)= 0.497E+00 g(S)= 0.000E+00 ort = 0.000E+00 (trialstep = 0.100E+01)
search vector abs. value= 0.497E+00
bond charge predicted
N E dE d eps ncg rms rms(c)
num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num p
rob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob n
um prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num pro
b num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num
prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob
num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob RMM:
1 -0.394158166725E+03 -0.39416E+03 -0.25671E+01 2106 0.139E+01 0.139E+00
num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num p
rob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob n
um prob num prob num prob num prob num prob num prob num prob num prob num prob RMM: 2 -0.394265062042E+03 -0.10690E+00 -0.19290E
+00 2167 0.202E+00 0.845E-01
num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num p
rob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob n
um prob num prob num prob num prob num prob num prob num prob num prob RMM: 3 -0.394301357551E+03 -0.36296E-01 -0.60477E-01 2169
0.809E-01 0.238E-01
num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num p
rob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob n
um prob num prob num prob RMM: 4 -0.394302294748E+03 -0.93720E-03 -0.29948E-02 2147 0.201E-01 0.124E-01
num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num p
rob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob n
um prob RMM: 5 -0.394302370673E+03 -0.75925E-04 -0.35029E-03 2084 0.938E-02 0.353E-02
num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num p
rob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob RMM: 6 -0.3943023
51860E+03 0.18813E-04 -0.36199E-04 1450 0.340E-02
2 F= -.39430235E+03 E0= -.39430235E+03 d E =-.646717E-01
trial-energy change: -0.064672 1 .order -0.059436 -0.496676 0.377803
step: 0.5767(harm= 0.5680) dis= 0.03090 next Energy= -394.381910 (dE=-0.144E+00)
bond charge predicted
N E dE d eps ncg rms rms(c)
RMM: 1 -0.394391709131E+03 -0.39439E+03 -0.49535E+00 2194 0.588E+00 0.601E-01
num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num p
rob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob RM
M: 2 -0.394383485012E+03 0.82241E-02 -0.40171E-02 2176 0.443E-01 0.352E-01
num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num p
rob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob n
um prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num pro
b RMM: 3 -0.394382038897E+03 0.14461E-02 -0.21505E-02 2149 0.269E-01 0.111E-01
num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num p
rob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob n
um prob num prob num prob RMM: 4 -0.394381631767E+03 0.40713E-03 -0.25049E-03 2035 0.878E-02 0.581E-02
num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num p
rob num prob num prob num prob num prob num prob num prob num prob num prob num prob RMM: 5 -0.394381660841E+03 -0.29073E-04 -0.
46741E-04 1495 0.361E-02
3 F= -.39438166E+03 E0= -.39438166E+03 d E =-.143981E+00
curvature: -0.28 expect dE=-0.953E-01 dE for cont linesearch -0.140E-06
trial: gam= 0.67681 g(F)= 0.336E+00 g(S)= 0.000E+00 ort =-0.495E-03 (trialstep = 0.808E+00)
search vector abs. value= 0.563E+00
bond charge predicted
N E dE d eps ncg rms rms(c)
num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num p
rob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob n
um prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num pro
b num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob RMM:
1 -0.394468651826E+03 -0.39447E+03 -0.11724E+01 2134 0.927E+00 0.835E-01
num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num p
rob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob num prob RM
M: 2 -0.394532182981E+03 -0.63531E-01 -0.79286E-01 2194 0.121E+00 0.563E-01
--More--(21%)
Last edited by des on Fri Nov 25, 2005 8:26 pm, edited 1 time in total.
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Strange Output Error

Postby admin » Mon Nov 28, 2005 11:07 am

most probably, the error is caused by the tty-error
( bad file descriptor .... , no job control.... )
all vasp-related job.stdout messages are written the num prob in between the VASP-output lines messages seem to be job-related.
please check if the error is reproducible on your system.
Last edited by admin on Mon Nov 28, 2005 11:07 am, edited 1 time in total.
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Strange Output Error

Postby tjf » Mon Nov 28, 2005 2:58 pm

A very quick aside: The no tty access message is ubiquitous. Most clusters display this type of message for batch jobs. It is not an error, as you don't need job control for a non-interactive job.
Last edited by tjf on Mon Nov 28, 2005 2:58 pm, edited 1 time in total.
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Strange Output Error

Postby anagaw » Fri Dec 02, 2005 6:22 am

<span class='smallblacktext'>[ Edited Fri Dec 02 2005, 07:23AM ]</span>
Last edited by anagaw on Fri Dec 02, 2005 6:22 am, edited 1 time in total.
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Strange Output Error

Postby des » Fri Dec 02, 2005 6:26 am

The problem seems ok when I change ALGO= Very_Fast to ALGO= Normal. But I don't really know why .
Last edited by des on Fri Dec 02, 2005 6:26 am, edited 1 time in total.
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