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[abinit-forum] P4 error in ABINIP and Non-SCF iterations; k pt # 47 k= 0.50000 0.12500 0.04167 band residuals: res: 2.68E-01 2.58E-01 2.33E-01 2.40E-01 2.57E-01 2.33E-01 2.33E-01 2.26E-01 res: 1.60E-01 1.64E-01 2.29E-01 1.57E-01 1.97E-01 1.62E-01 1.66E-01 1.44E-01 res: 1.54E-01 1.29E-01 1.27E-01 1.20E-01 1.15E-01 1.15E-01 1.24E-01 1.22E-01 res: 9.83E-02 1.35E-01 1.11E-01 1.03E-01 1.19E-01 1.02E-01 8.79E-02 1.14E-01 res: 9.88E-02 9.50E-02 9.14E-02 9.28E-02 8.37E-02 9.22E-02 9.98E-02 8.40E-02 res: 9.64E-02 8.82E-02 1.09E-01 8.94E-02 8.17E-02 1.02E-01 8.06E-02 8.74E-02 res: 7.88E-02 8.43E-02 7.41E-02 8.58E-02 8.57E-02 7.61E-02 8.20E-02 7.68E-02 res: 6.89E-02 7.28E-02 7.02E-02 ene: -4.18E-01 -4.06E-01 -3.89E-01 -3.72E-01 -3.67E-01 -3.64E-01 -3.52E-01 -3.45E-01 ene: -3.38E-01 -3.28E-01 -3.20E-01 -2.95E-01 -1.93E-01 -1.81E-01 -1.67E-01 -1.54E-01 ene: -1.47E-01 -1.37E-01 -1.23E-01 -1.14E-01 -8.46E-02 -7.76E-02 -6.69E-02 -6.27E-02 ene: -5Segmentation fault in ABINIS for the same input file.
Chronological Thread
- From: <abraja.v@gmail.com>
- To: forum@abinit.org
- Subject: [abinit-forum] P4 error in ABINIP and Non-SCF iterations; k pt # 47 k= 0.50000 0.12500 0.04167 band residuals: res: 2.68E-01 2.58E-01 2.33E-01 2.40E-01 2.57E-01 2.33E-01 2.33E-01 2.26E-01 res: 1.60E-01 1.64E-01 2.29E-01 1.57E-01 1.97E-01 1.62E-01 1.66E-01 1.44E-01 res: 1.54E-01 1.29E-01 1.27E-01 1.20E-01 1.15E-01 1.15E-01 1.24E-01 1.22E-01 res: 9.83E-02 1.35E-01 1.11E-01 1.03E-01 1.19E-01 1.02E-01 8.79E-02 1.14E-01 res: 9.88E-02 9.50E-02 9.14E-02 9.28E-02 8.37E-02 9.22E-02 9.98E-02 8.40E-02 res: 9.64E-02 8.82E-02 1.09E-01 8.94E-02 8.17E-02 1.02E-01 8.06E-02 8.74E-02 res: 7.88E-02 8.43E-02 7.41E-02 8.58E-02 8.57E-02 7.61E-02 8.20E-02 7.68E-02 res: 6.89E-02 7.28E-02 7.02E-02 ene: -4.18E-01 -4.06E-01 -3.89E-01 -3.72E-01 -3.67E-01 -3.64E-01 -3.52E-01 -3.45E-01 ene: -3.38E-01 -3.28E-01 -3.20E-01 -2.95E-01 -1.93E-01 -1.81E-01 -1.67E-01 -1.54E-01 ene: -1.47E-01 -1.37E-01 -1.23E-01 -1.14E-01 -8.46E-02 -7.76E-02 -6.69E-02 -6.27E-02 ene: -5Segmentation fault in ABINIS for the same input file.
- Date: Fri, 13 Feb 2009 17:25:47 +0100 (CET)
hi all,
While i try to run bandstructure calculation in Abinit V 5.6.4, for the same
input file i got the different errors in ABINP & ABINIS.
In ABINIP, i got the error as p0_19904: p4_error: interrupt SIGSEGV: 11,
In ABINIS, it passed the error line of ABINIP but got the error as ene:
-5Segmentation fault .
below i am attaching the error lines...
Is any body help me to solve this.
regards,
raja.
ABINIP:
______________
symatm: atom number 19 is reached starting at atom
19 17
symatm: atom number 20 is reached starting at atom
20 18
initro : for itypat= 1, take decay length= 1.1500,
initro : indeed, coreel= 46.0000, nval= 5 and densty= 0.0000E+00.
initro : for itypat= 2, take decay length= 0.9000,
initro : indeed, coreel= 10.0000, nval= 6 and densty= 0.0000E+00.
================================================================================
iter Etot(hartree) deltaE(h) residm vres2 diffor maxfor
getcut: wavevector= 0.0000 0.0000 0.0000 ngfft= 96 100 36
ecut(hartree)= 25.000 => boxcut(ratio)= 2.00625
ewald : nr and ng are 4 and 22
ITER STEP NUMBER 1
vtorho : nnsclo_now= 2, note that nnsclo,dbl_nnsclo,istep= 0 0 1
p0_19904: p4_error: interrupt SIGSEGV: 11
_________
ABINIS:
Non-SCF iterations; k pt # 47 k= 0.50000 0.12500 0.04167 band
residuals:
res: 2.68E-01 2.58E-01 2.33E-01 2.40E-01 2.57E-01 2.33E-01 2.33E-01
2.26E-01
res: 1.60E-01 1.64E-01 2.29E-01 1.57E-01 1.97E-01 1.62E-01 1.66E-01
1.44E-01
res: 1.54E-01 1.29E-01 1.27E-01 1.20E-01 1.15E-01 1.15E-01 1.24E-01
1.22E-01
res: 9.83E-02 1.35E-01 1.11E-01 1.03E-01 1.19E-01 1.02E-01 8.79E-02
1.14E-01
res: 9.88E-02 9.50E-02 9.14E-02 9.28E-02 8.37E-02 9.22E-02 9.98E-02
8.40E-02
res: 9.64E-02 8.82E-02 1.09E-01 8.94E-02 8.17E-02 1.02E-01 8.06E-02
8.74E-02
res: 7.88E-02 8.43E-02 7.41E-02 8.58E-02 8.57E-02 7.61E-02 8.20E-02
7.68E-02
res: 6.89E-02 7.28E-02 7.02E-02
ene: -4.18E-01 -4.06E-01 -3.89E-01 -3.72E-01 -3.67E-01 -3.64E-01 -3.52E-01
-3.45E-01
ene: -3.38E-01 -3.28E-01 -3.20E-01 -2.95E-01 -1.93E-01 -1.81E-01 -1.67E-01
-1.54E-01
ene: -1.47E-01 -1.37E-01 -1.23E-01 -1.14E-01 -8.46E-02 -7.76E-02 -6.69E-02
-6.27E-02
ene: -5Segmentation fault
__________________
- [abinit-forum] P4 error in ABINIP and Non-SCF iterations; k pt # 47 k= 0.50000 0.12500 0.04167 band residuals: res: 2.68E-01 2.58E-01 2.33E-01 2.40E-01 2.57E-01 2.33E-01 2.33E-01 2.26E-01 res: 1.60E-01 1.64E-01 2.29E-01 1.57E-01 1.97E-01 1.62E-01 1.66E-01 1.44E-01 res: 1.54E-01 1.29E-01 1.27E-01 1.20E-01 1.15E-01 1.15E-01 1.24E-01 1.22E-01 res: 9.83E-02 1.35E-01 1.11E-01 1.03E-01 1.19E-01 1.02E-01 8.79E-02 1.14E-01 res: 9.88E-02 9.50E-02 9.14E-02 9.28E-02 8.37E-02 9.22E-02 9.98E-02 8.40E-02 res: 9.64E-02 8.82E-02 1.09E-01 8.94E-02 8.17E-02 1.02E-01 8.06E-02 8.74E-02 res: 7.88E-02 8.43E-02 7.41E-02 8.58E-02 8.57E-02 7.61E-02 8.20E-02 7.68E-02 res: 6.89E-02 7.28E-02 7.02E-02 ene: -4.18E-01 -4.06E-01 -3.89E-01 -3.72E-01 -3.67E-01 -3.64E-01 -3.52E-01 -3.45E-01 ene: -3.38E-01 -3.28E-01 -3.20E-01 -2.95E-01 -1.93E-01 -1.81E-01 -1.67E-01 -1.54E-01 ene: -1.47E-01 -1.37E-01 -1.23E-01 -1.14E-01 -8.46E-02 -7.76E-02 -6.69E-02 -6.27E-02 ene: -5Segmentation fault in ABINIS for the same input file., abraja.v, 02/13/2009
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