Yambo Community Forum

Dear developers:
I have installed yambo v-3.2.4 with gfortran and ifort, respectively.But both of them are appear segmentation fault when perform GW calculation.
My procudures are:
>yambo -i (it is OK)
>yambo(it is OK)
>yambo -c -x (it is OK)
>yambo (it is OK)
>yambo -c -g n -p p
it appears: segmentation fault, and there is no other error message.
The attachment is log and report file.
Thanks!

Dear SDwang,

it is hard to say from those few informations. Can you post the input file ? Can you reproduce the problem on a smaller system (like bulk silicon or something similar) ? I see from the log file you are using a huge amount of memory. Does the problem persist if you strongly reduce the memory requirement ?

Andrea

andrea marini wrote:Dear SDwang,

it is hard to say from those few informations. Can you post the input file ? Can you reproduce the problem on a smaller system (like bulk silicon or something similar) ? I see from the log file you are using a huge amount of memory. Does the problem persist if you strongly reduce the memory requirement ?

Andrea

I have not reproduce some small system. I give my input file in as following.I have 64G memory.
# GPL Version 3.2.4 Revision 855
# http://www.yambo-code.org
#
rim_cut # [R RIM CUT] Coulomb interaction
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
RandQpts= 1000000 # [RIM] Number of random q-points in the BZ
RandGvec= 11 RL # [RIM] Coulomb interaction RS components
CUTGeo= "box z" # [CUT] Coulomb Cutoff geometry: box/cylinder/sphere
% CUTBox
0.00000 | 0.00000 | 25.00000 | # [CUT] [au] Box sides
%
CUTRadius= 0.000000 # [CUT] [au] Sphere/Cylinder radius
CUTCylLen= 0.000000 # [CUT] [au] Cylinder length
EXXRLvcs= 25057 RL # [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)
%
% XfnQP_W
0.000 | 0.000 | 0.000 | 0.000 | # [EXTQP Xd] W parameters (c/v)
%
XfnQP_Z= ( 1.000000 , 0.000000 ) # [EXTQP Xd] Z factor (c/v)
% QpntsRXp
1 | 34 | # [Xp] Transferred momenta
%
% BndsRnXp
1 | 250 | # [Xp] Polarization function bands
%
NGsBlkXp= 3000 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)
%
% GfnQP_W
0.000 | 0.000 | 0.000 | 0.000 | # [EXTQP G] W parameters (c/v)
%
GfnQP_Z= ( 1.000000 , 0.000000 ) # [EXTQP G] Z factor (c/v)
% GbndRnge
1 | 250 | # [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 (`n`,`s`,`g`)
#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| 3| 25| 32|
%
%QPerange # [GW] QP generalized Kpoint/Energy indices
1| 3| 0.0|-1.0|
%

Dear sdwang, as far as I can see I do not see any problem in the input file. Try systematically reducing ALL parameters: number of G-vectors, bands and so on. Switch off the columb cutoff and the RIM.

In these cases the only way is to trace back the problem (if there is any) to the simplest possible configuration.

Keep in mind, that there is NO WAY we can solve the problem unless there is something explicitly wrong in the input file. The only way is that we run your calculation reproducing the error. Therefore, reduce the calculation to the smallest possible that reproduce the error and, in case, you do not find the solution, provide us the gorund-state input file, pseudo and so on.

Andrea

I try it with reduced parameters and it also have the same error.
In attachment I post the DFT grounde caculation file and pseudo, and GW input file of reduced parameters. I have test with yambo v-3.2.1, it have no error.
Thanks!