[Wien] mBJ calculation stops after 2 cycles

[Pascal BOULET]

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
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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