[Wien] mBJ calculation stops after 2 cycles

[Pascal BOULET]

Hi,

Yes, I have just checked this out.

Pascal


> ----------------------------------------
> From: <tran at theochem.tuwien.ac.at>
> Sent: Thu Feb 06 10:48:13 CET 2014
> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> Subject: Re: [Wien] mBJ calculation stops after 2 cycles
> 
> 
> Hi,
> 
> are you sure that the executable wien2k_13/lcore is present?
> 
> F
> 
> On Thu, 6 Feb 2014, Pascal BOULET wrote:
> 
> >
> > I forgot to mention that I tried twice the calculation and I got the same result. So, it does not seem to be an accidental failure.
> >
> > Second, I checked the lcore.def file: all the files mentioned in there exist and are not empty. It contains the following:
> >
> > 5,'MS.inc',         'old',    'formatted',0
> > 6,'MS.outputc','unknown','formatted',0
> > 8,'MS.vsp',    'old',    'formatted',0
> > 9,'MS.clmcor', 'unknown','formatted',0
> > 19,'MS.vns',    'unknown','formatted',0
> > 20,'MS.struct',      'old',    'formatted',0 
> > 21,'MS.scfc',   'unknown','formatted',0
> > 28,'MS.vrespcor',   'unknown','formatted',0
> > 29,'MS.corewf',   'unknown','formatted',0
> > 83,'MS.rsplcore',   'unknown','formatted',0
> >
> > and the listing of the files returns:
> >
> > -rw-r--r-- 1 paboulet pmc6881 2.4K 2014-02-05 18:43 MS.struct
> > -rw-r--r-- 1 paboulet pmc6881  825 2014-02-05 18:45 MS.inc
> > -rw------- 1 paboulet pmc6881  62K 2014-02-05 23:13 MS.vsp
> > -rw------- 1 paboulet pmc6881 977K 2014-02-05 23:13 MS.vns
> > -rw------- 1 paboulet pmc6881  62K 2014-02-05 23:14 MS.vrespcor
> > -rw------- 1 paboulet pmc6881 1.1K 2014-02-05 23:14 MS.scfc
> > -rw------- 1 paboulet pmc6881  73K 2014-02-05 23:14 MS.rsplcore
> > -rw------- 1 paboulet pmc6881 8.6K 2014-02-05 23:14 MS.outputc
> > -rw------- 1 paboulet pmc6881  160 2014-02-05 23:14 MS.corewf
> > -rw------- 1 paboulet pmc6881  62K 2014-02-05 23:14 MS.clmcor
> >
> >
> >> ----------------------------------------
> >> From: Lyudmila Dobysheva <lyuka17 at mail.ru>
> >> Sent: Thu Feb 06 07:19:02 CET 2014
> >> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> >> Subject: Re: [Wien] mBJ calculation stops after 2 cycles
> >> 
> >> 
> >> On 06.02.2014 03:25, pascal boulet wrote:
> >> > After 2 cycles the job
> >> > stops when starting the lcore program. The dayfile file reads:
> >> > error: command   wien2k_13/lcore lcore.def failed
> >> > The lcore.error file is empty.
> >> 
> >> Is there an lcore.def file? What it contains?
> >> Make again:
> >>   run_lapw -p -ec 0.0001 -cc 0.01 -i 200 -NI
> >> Does the error repeat in the first or other cycle? If no - that was some 
> >> aсcidental failure, for example, problem with disk, or the like.
> >> 
> >> If repeats, make in terminal:
> >> x lcore
> >> and see the results.
> >> 
> >> Best wishes
> >>    Lyudmila Dobysheva
> >> ------------------------------------------------------------------
> >> Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
> >> 426001 Izhevsk, ul.Kirova 132
> >> RUSSIA
> >> ------------------------------------------------------------------
> >> Tel.:7(3412) 218988(office), 722529(Fax)
> >> E-mail: lyu at ftiudm.ru, lyuka17 at mail.ru (office)
> >>          lyuka17 at gmail.com (home)
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> >> http://fti.udm.ru/content/view/25/103/lang,english/
> >> ------------------------------------------------------------------
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> >
> >
> >
> >> -----------------
> > Pascal Boulet
> > Aix-Marseille University 
> > MADIREL Laboratory
> > Avenue Normandie-Niemen
> > 13397 Marseille Cedex 20
> > Email: pascal.boulet at univ-amu.fr
> > Tel. +33 413 55 18 10
> > Fax  +33 413 55 18 50
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



>-----------------
Pascal Boulet
Aix-Marseille University 
MADIREL Laboratory
Avenue Normandie-Niemen
13397 Marseille Cedex 20
Email: pascal.boulet at univ-amu.fr
Tel. +33 413 55 18 10
Fax  +33 413 55 18 50