Segmentation fault for qp correction
Posted: Wed Aug 15, 2012 7:48 am
Dear all,
After finishing the tutorial, i used command yambo -g n -p p -V qp to calculate the qp correction for BaZnF crystal. The calculation stop with a screen output
but no error reported in log file.
i used the same procedure for crystal GaSe without any promblems. i have no idea what the promblem is. Please give me some advices.
This my input file for yambo
and this is my log file
it seems something wrong with the calculation for the EXX correction. However, when i just use the command yambo -x , there is no promblem.
Thanks in advanced
Cheers!
Sheleon
After finishing the tutorial, i used command yambo -g n -p p -V qp to calculate the qp correction for BaZnF crystal. The calculation stop with a screen output
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=====================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= EXIT CODE: 139
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
=====================================================================================
APPLICATION TERMINATED WITH THE EXIT STRING: Segmentation fault (signal 11)but no error reported in log file.
i used the same procedure for crystal GaSe without any promblems. i have no idea what the promblem is. Please give me some advices.
This my input file for yambo
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gw0 # [R GW] GoWo Quasiparticle energy levels
ppa # [R Xp] Plasmon Pole Approximation
HF_and_locXC # [R XX] Hartree-Fock Self-energy and Vxc
em1d # [R Xd] Dynamical Inverse Dielectric Matrix
EXXRLvcs= 30 Ry # [XX] Exchange RL components
XfnQPdb= "none" # [EXTQP Xd] Database
XfnQP_N= 1 # [EXTQP Xd] Interpolation neighbours
% XfnQP_E
0.000000 | 1.000000 | 1.000000 | # [EXTQP Xd] E parameters (c/v) eV|adim|adim
%
% XfnQP_Wv
0.00 | 0.00 | 0.00 | # [EXTQP Xd] W parameters (valence) eV|adim|eV^-1
%
% XfnQP_Wc
0.00 | 0.00 | 0.00 | # [EXTQP Xd] W parameters (conduction) eV|adim|eV^-1
%
XfnQP_Z= ( 1.000000 , 0.000000 ) # [EXTQP Xd] Z factor (c/v)
% QpntsRXp
1 | 68 | # [Xp] Transferred momenta
%
% BndsRnXp
1 | 10 | # [Xp] Polarization function bands
%
NGsBlkXp= 1 RL # [Xp] Response block size
% LongDrXp
1.000000 | 0.000000 | 0.000000 | # [Xp] [cc] Electric Field
%
PPAPntXp= 27.21138 eV # [Xp] PPA imaginary energy
GfnQPdb= "none" # [EXTQP G] Database
GfnQP_N= 1 # [EXTQP G] Interpolation neighbours
% GfnQP_E
0.000000 | 1.000000 | 1.000000 | # [EXTQP G] E parameters (c/v) eV|adim|adim
%
% GfnQP_Wv
0.00 | 0.00 | 0.00 | # [EXTQP G] W parameters (valence) eV|adim|eV^-1
%
% GfnQP_Wc
0.00 | 0.00 | 0.00 | # [EXTQP G] W parameters (conduction) eV|adim|eV^-1
%
GfnQP_Z= ( 1.000000 , 0.000000 ) # [EXTQP G] Z factor (c/v)
% GbndRnge
1 | 10 | # [GW] G[W] bands range
%
GDamping= 0.10000 eV # [GW] G[W] damping
dScStep= 0.10000 eV # [GW] Energy step to evalute Z factors
DysSolver= "n" # [GW] Dyson Equation solver (,,)
#NewtDchk # [F GW] Test dSc/dw convergence
#ExtendOut # [F GW] Print all variables in the output file
%QPkrange # [GW] QP generalized Kpoint/Band indices
1| 10| 1| 10|
%
%QPerange # [GW] QP generalized Kpoint/Energy indices
1| 63| 0.0|-1.0|
%
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<---> [01] Files & I/O Directories
<---> [02] CORE Variables Setup
<---> [02.01] Unit cells
<---> [02.02] Symmetries
<---> [02.03] RL shells
<---> [02.04] K-grid lattice
<---> [02.05] Energies [ev] & Occupations
<---> [03] Transferred momenta grid
<---> [04] External QP corrections (X)
<---> [05] External QP corrections (G)
<---> [06] Bare local and non-local Exchange-Correlation
<02s> [M 2.181 Gb] Alloc WF ( 2.163)
<15s> [FFT-HF/Rho] Mesh size: 48 48 40
<15s> [WF-HF/Rho loader] Wfs (re)loading | | [000%] --(E) --(X)
<24s> [WF-HF/Rho loader] Wfs (re)loading |# | [005%] 09s(E) 03m-00s(X)
<33s> [WF-HF/Rho loader] Wfs (re)loading |## | [010%] 17s(E) 02m-56s(X)
<39s> [WF-HF/Rho loader] Wfs (re)loading |### | [015%] 24s(E) 02m-40s(X)
<45s> [WF-HF/Rho loader] Wfs (re)loading |#### | [020%] 30s(E) 02m-30s(X)
<51s> [WF-HF/Rho loader] Wfs (re)loading |##### | [025%] 36s(E) 02m-24s(X)
<58s> [WF-HF/Rho loader] Wfs (re)loading |###### | [030%] 42s(E) 02m-20s(X)
<01m-04s> [WF-HF/Rho loader] Wfs (re)loading |####### | [035%] 48s(E) 02m-18s(X)
<01m-10s> [WF-HF/Rho loader] Wfs (re)loading |######## | [040%] 54s(E) 02m-16s(X)
<01m-16s> [WF-HF/Rho loader] Wfs (re)loading |######### | [045%] 01m-00s(E) 02m-14s(X)
<01m-22s> [WF-HF/Rho loader] Wfs (re)loading |########## | [050%] 01m-06s(E) 02m-13s(X)
<01m-28s> [WF-HF/Rho loader] Wfs (re)loading |########### | [055%] 01m-12s(E) 02m-12s(X)
<01m-34s> [WF-HF/Rho loader] Wfs (re)loading |############ | [060%] 01m-18s(E) 02m-10s(X)
<01m-39s> [WF-HF/Rho loader] Wfs (re)loading |############# | [065%] 01m-24s(E) 02m-09s(X)
<01m-45s> [WF-HF/Rho loader] Wfs (re)loading |############## | [070%] 01m-30s(E) 02m-08s(X)
<01m-51s> [WF-HF/Rho loader] Wfs (re)loading |############### | [075%] 01m-36s(E) 02m-08s(X)
<01m-58s> [WF-HF/Rho loader] Wfs (re)loading |################ | [080%] 01m-43s(E) 02m-08s(X)
<02m-06s> [WF-HF/Rho loader] Wfs (re)loading |################# | [085%] 01m-50s(E) 02m-09s(X)
<02m-13s> [WF-HF/Rho loader] Wfs (re)loading |################## | [090%] 01m-57s(E) 02m-10s(X)
<02m-20s> [WF-HF/Rho loader] Wfs (re)loading |################### | [095%] 02m-04s(E) 02m-10s(X)
<02m-27s> [WF-HF/Rho loader] Wfs (re)loading |####################| [100%] 02m-11s(E) 02m-11s(X)
Thanks in advanced
Cheers!
Sheleon