by **arghyabh** » Mon Nov 24, 2014 2:42 pm

After finishing the quantum epsresso run for scf and nscf, i did

1. p2y -S

2. yambo -i

3. mpiexec yambo

4. yambo -g n -p p

5. edited yambo.in

6. mpiexec yambo

i can restart the run , but every time I restart, it runs for some cycles and then gets killed with this error

this is how my input looks like

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= 1000 RL # [XX] Exchange RL components

Chimod= "" # [X] IP/Hartree/ALDA/LRC/BSfxc

% BndsRnXp

1 | 8 | # [Xp] Polarization function bands

%

NGsBlkXp= 500 RL # [Xp] Response block size

% LongDrXp

1.000000 | 0.000000 | 0.000000 | # [Xp] [cc] Electric Field

%

PPAPntXp= 27.21138 eV # [Xp] PPA imaginary energy

% GbndRnge

1 | 8 | # [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`)

%QPkrange # [GW] QP generalized Kpoint/Band indices

1| 8| 1| 8|

%

%QPerange # [GW] QP generalized Kpoint/Energy indices

1| 8| 0.0|-1.0|

%

the r_em1d file last section looks like this

[06.01] G0W0 : the P(lasmon) P(ole) A(pproximation)

===================================================

[GW/PPA] Bands range : 1 8

[GW/PPA] G damping [ev]: 0.10000

QP @ K 001 - 008 : b 001 - 008

[FFT-SC] Mesh size: 15 15 15

[WF loader] Normalization (few states) min/max :0.2547E-8 1.000

[RD./SAVE//ndb.pp]------------------------------------------

Brillouin Zone Q/K grids (IBZ/BZ): 8 64 8 64

RL vectors (WF): 609

Coulomb cutoff potential :none

Electronic Temperature [K]: 0.000000

Bosonic Temperature [K]: 0.000000

PPA diel. fun. energies :Slater exchange(X)+Perdew & Zunger(C)

wavefunctions :Slater exchange(X)+Perdew & Zunger(C)

Global Gauge :length

X matrix size : 531

X band range : 1 8

X e/h energy range [ev]:-1.000000 -1.000000

X Time ordering :c

X xc-Kernel :none

X Drude frequency : 0.00 0.00

X poles [o/o]: 100.0000

Rl vectors in the sum : 609

[r,Vnl] included :yes

Field direction :0.1000E-4 0.000 0.000

BZ energy Random IM :no

BZ energy RIM points :0

PPA Im energy [ev]: 27.21138

- S/N 005800 --------------------------- v.03.04.01 r.3187 -

and that is l_em1d is this

<40s> G0W0 PPA |############# | [065%] 40s(E) 01m-01s(X)

<45s> G0W0 PPA |############## | [073%] 45s(E) 01m-01s(X)

<50s> G0W0 PPA |################ | [081%] 50s(E) 01m-01s(X)

<55s> G0W0 PPA |################# | [089%] 55s(E) 01m-01s(X)

<01m-00s> G0W0 PPA |################### | [098%] 01m-00s(E) 01m-01s(X)

<01m-02s> G0W0 PPA |####################| [100%] 01m-01s(E) 01m-01s(X)

Arghya Bhowmik

PhD student, DTU Energy Conversion

Technical University of Denmark

Department of Energy Conversion and Storage

Frederiksborgvej 399, Building 235

4000 Roskilde Denmark