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Restart calc

Posted: Fri Aug 14, 2015 7:17 am
by samaneh
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

Re: Restart calc

Posted: Fri Aug 14, 2015 8:18 am
by myrta gruning
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

Re: Restart calc

Posted: Wed Aug 19, 2015 10:49 am
by samaneh
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