[Wien] run_bandplothf problem crash for HF

[Laurence Marks]

I am not sure how helpful this will be, but "Barewords" appears to be
associated with Perl scripting, see
http://perlmaven.com/barewords-in-perl

It looks like there is a file bashtime2csh.pl_lapw which presumably
needs some changes to remove "strict subs" or similar, but I know
nothing about perl.

On Wed, Aug 7, 2013 at 10:19 AM, tran at theochem.tuwien.ac.at
<tran at theochem.tuwien.ac.at> wrote:
> Dear Martin,
>
> Actually, I don't exactly know what is the problem since it does not
> happen to me. Maybe you can try to know what the messages "Bareword ..."
> mean. Are you using a queueing system?
>
> F. Tran
>
>> Date: Tue, 16 Jul 2013 07:51:21 +0200
>> From: Martin Gmitra <martin.gmitra at gmail.com>
>> Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>> Subject: [Wien] run_bandplothf problem crash for HF
>>
>> Dear Wien2k users,
>>
>> I am running spin-polarized calculations using YS-PBE0 with the latest
>> Wien2k release v13. Self-consistent calculations run smooth on 4 cores. For
>> the band calculations I asked 10 cores (.machines modified) invoking
>>
>> run_bandplothf -p -up -redklist -qtl
>>
>> Here is list of :log
>> Mon Jul 15 21:53:14 CEST 2013> (x) lapw1 -band -up -p
>> Tue Jul 16 00:53:26 CEST 2013> (x) hf -band -up -p -redklist
>> Tue Jul 16 00:53:37 CEST 2013> (x) sumhfpara -c -up -band -d
>> Tue Jul 16 00:53:37 CEST 2013> (x) lapw2 -hf -band -up -qtl
>>
>> After successful  lapw1 -band -up -p there is the following std output
>> (repeated 10 times, giving here non redundant info)
>>
>> Bareword "up" not allowed while "strict subs" in use at (eval 1) line 1.
>> Bareword "case" not allowed while "strict subs" in use at (eval 1) line 1.
>> Bareword "klist_band" not allowed while "strict subs" in use at (eval 1)
>> line 1.
>> running HF in parallel mode
>> [1] 4791
>> OPEN FAILED
>> [1]  + Done                   ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f
>> .lock_$lockfile[$p] ) >>  ...
>>      localhost ERROR IN OPENING UNIT: 16 FILENAME: case.klist_1 STATUS:
>> old FORM:formatted 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
>>
>> . . .
>>      localhost ERROR IN OPENING UNIT: 16 FILENAME: case.klist_10 STATUS:
>> old FORM:formatted 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
>>
>> Should not file id 16 uphf_*.def files (see uphf_1.def below) contain
>> case.klist_band_1 or x_lapw script create corresponding case.klist_* files?
>>
>> 4,'case.inhf',                               'old',    'formatted',0
>> 5,'case.in0',                                'old',    'formatted',0
>> 6,'case.outputhfup_1',                      'unknown','formatted',0
>> 7,'case.clmsum',                             'old',    'formatted',0
>> 8,'case.clmup',                        'unknown','formatted',0
>> 9,'case.in1c',                  'old',    'formatted',0
>> 10,'case.vectorup_1',        'old',    'unformatted',9000
>> 11,'case.vectorhfup_old','old',    'unformatted',9000
>> 12,'case.vectorhfup_1',      'unknown','unformatted',9000
>> 14,'case.r2v_grr',                    'old',    'formatted',0
>> 15,'case.klist_fbz',                          'old',    'formatted',0
>> 16,'case.klist_1',                          'old',    'formatted',0
>> 17,'case.outputkgenhf',                       'old',    'formatted',0
>> 19,'case.clmcorup',                        'old',    'formatted',0
>> 20,'case.struct',                             'old',    'formatted',0
>> 21,'case.scfhfup_1',                         'unknown','formatted',0
>> 26,'case.weighhfup',                       'old',    'unformatted',0
>> 28,'case.inc',                                'old',    'formatted',0
>> 29,'case.corewfup',                        'old',    'formatted',0
>> 31,'case.energyhfup_1',                   'unknown','formatted',0
>> 32,'case.vspup',                           'old',    'formatted',0
>> 33,'case.vspup_old',                     'old',    'formatted',0
>> 40,'case.klist_band_1'   ,'unknown','formatted',0
>> 45,'case.para'         ,'unknown','formatted',0
>> 46,'case.klist_rfbz'   ,'unknown','formatted',0
>>
>>
>> Best regards,
>> Martin Gmitra
>> Uni Regensburg
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi