[Wien] bug in join_vectorfiles

2011-09-20 Thread Maxim Rakitin 
Dear Prof. Blaha,

What areas can whis bug affect on previous builds? Will it cause any 
problems with usual runsp/min_lapw calculations?

Thanks.

Best regards,
Maxim Rakitin
Email: rms85 at physics.susu.ac.ru
Web: http://www.susu.ac.ru


19.09.2011 17:37, Peter Blaha ?:
> Thank's.
>
> I can confirm the problems and solution your email.
> It will be fixed in the next release.
>
> Am 19.09.2011 13:34, schrieb katrusiat:
>> Hi,
>>
>> I've found a bug in join_vectorfiles (folder SRC_trig). To remove it, 
>> do the following replacements:
>>
>> 1) file util.f, line 46
>>
>> read(unit,"(A16,I2)")dummy,mult ==> read(unit,"(A15,I2)")dummy,mult
>>
>> 2) file util.f, line ~ 102
>>
>> read(unit_struct,"(A16,I2)")dummy,mult ==> 
>> read(unit_struct,"(A15,I2)")dummy,mult
>>
>> Bests, Kateryna Foyevtsova
>> ___
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>

[Wien] bug in join_vectorfiles

2011-09-20 Thread Peter Blaha 
No problem for runsp/min calculations.

join_vectorfiles is a utility which combines vectorfiles from a k-point parallel
calculation to a "non-parallel" single case.vector file.

Am 20.09.2011 05:12, schrieb Maxim Rakitin:
> Dear Prof. Blaha,
> What areas can whis bug affect on previous builds? Will it cause any problems 
> with usual runsp/min_lapw calculations?
> Thanks.
> Best regards, Maxim Rakitin Email: rms85 at physics.susu.ac.ru Web: 
> http://www.susu.ac.ru
>
> 19.09.2011 17:37, Peter Blaha ?:> Thank's.>> I can confirm the problems 
> and solution your email.> It will be fixed in the next release.>> Am 
> 19.09.2011 13:34, schrieb
> katrusiat:>> Hi, I've found a bug in join_vectorfiles (folder SRC_trig). 
> To remove it, >> do the following replacements: 1) file util.f, line 
> 46
> read(unit,"(A16,I2)")dummy,mult ==> read(unit,"(A15,I2)")dummy,mult 2) 
> file util.f, line ~ 102 read(unit_struct,"(A16,I2)")dummy,mult ==> >>
> read(unit_struct,"(A15,I2)")dummy,mult Bests, Kateryna Foyevtsova>> 
> ___>> Wien mailing list>>
> Wien at zeus.theochem.tuwien.ac.at>> 
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>___Wien
>  mailing
> listWien at 
> zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 
-
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-

[Wien] bug in join_vectorfiles

2011-09-19 Thread katrusiat 
Hi,

I've found a bug in join_vectorfiles (folder SRC_trig). To remove it, do the 
following replacements:

1) file util.f, line 46

read(unit,"(A16,I2)")dummy,mult   ==>   read(unit,"(A15,I2)")dummy,mult

2) file util.f, line ~ 102

read(unit_struct,"(A16,I2)")dummy,mult   ==>
read(unit_struct,"(A15,I2)")dummy,mult

Bests, Kateryna Foyevtsova

[Wien] bug in join_vectorfiles

2011-09-19 Thread Peter Blaha 
Thank's.

I can confirm the problems and solution your email.
It will be fixed in the next release.

Am 19.09.2011 13:34, schrieb katrusiat:
> Hi,
>
> I've found a bug in join_vectorfiles (folder SRC_trig). To remove it, do the 
> following replacements:
>
> 1) file util.f, line 46
>
> read(unit,"(A16,I2)")dummy,mult   ==>read(unit,"(A15,I2)")dummy,mult
>
> 2) file util.f, line ~ 102
>
> read(unit_struct,"(A16,I2)")dummy,mult   ==> 
> read(unit_struct,"(A15,I2)")dummy,mult
>
> Bests, Kateryna Foyevtsova
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

   P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/
--