Dear Developers,
I run yambo for 2 times ( it has RESTART file)
but for the 3rd time it stopped soon
here is the end of r_em1d_ppa_HF_and_locXC_gw0 file!!
[08.01] G0W0 : the P(lasmon) P(ole) A(pproximation)
===================================================
[GW/PPA] Bands range : 1 200
[GW/PPA] G damping [ev]: 0.10000
QP @ K 001 - 080 : b 001 - 200
[FFT-SC] Mesh size: 15 8 18
[RD./SAVE//db.pp]-------------------------------------------
Brillouin Zone Q/K grids (IBZ/BZ): 80 216 80 216
RL vectors (WF): 699
Coulomb cutoff potential :none
Electronic Temperature [K]: 299.9765
Bosonic Temperature [K]: 299.9765
PPA diel. fun. energies :Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
wavefunctions :Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
Global Gauge :length
X matrix size : 269
X band range : 1 200
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 : 699
[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 000016 --------------------------- v.03.04.01 r.3187 -
would you help me with this problem??
does RESTART work in any condition?
S. Ataei, University of Tehran, Iran
Restart calc
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano
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Restart calc
S. Ataei, PhD student at University of Tehran, Iran.
- myrta gruning
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Re: Restart calc
Dear Samaneh
from what you sent I cannot understand what went wrong. It stopped after reading the plasmon pole database. Was it there any error message?
If the job stops while the code is writing the restart file, it may be a problem. Otherwise it should work.
Best
from what you sent I cannot understand what went wrong. It stopped after reading the plasmon pole database. Was it there any error message?
If the job stops while the code is writing the restart file, it may be a problem. Otherwise it should work.
Best
Dr Myrta Grüning
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland
http://www.researcherid.com/rid/B-1515-2009
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland
http://www.researcherid.com/rid/B-1515-2009
-
- Posts: 165
- Joined: Tue Jan 21, 2014 9:03 am
Re: Restart calc
Dear Dr. Myrta,
I have this error
forrtl: severe (24): end-of-file during read, unit 41, file /home/sataei/su24-gw/k=6/tmp/tio2.save/./SAVE//db.QP
this error does not appear for the first time I use RESTART file
but for the second time it appears!!!
also I tested it for this job with reduced parameters
but again this problem happened!!!
I would be thankful if you help me with it.
S. Ataei
I have this error
forrtl: severe (24): end-of-file during read, unit 41, file /home/sataei/su24-gw/k=6/tmp/tio2.save/./SAVE//db.QP
this error does not appear for the first time I use RESTART file
but for the second time it appears!!!
also I tested it for this job with reduced parameters
but again this problem happened!!!
I would be thankful if you help me with it.
S. Ataei
S. Ataei, PhD student at University of Tehran, Iran.