[Wien] x optic error
Gavin Abo
gsabo at crimson.ua.edu
Wed Jun 6 19:36:37 CEST 2012
^M: Command not found. - Most likely the file "opticpara_lapw" was
transferred from Windows to the Linux system.
To remove the Windows carriage returns in the file (^M), try the
following command in the Linux terminal:
dos2unix $WIENROOT/opticpara_lapw
If you don't have "dos2unix" on your system, some other methods are
described at:
http://kb.iu.edu/data/acux.html
On 6/6/2012 10:27 AM, soumyajyoti haldar wrote:
> Dear Prof. Blaha and other users,
>
> I am trying to run x optic -p with the new file you provided. I am
> getting following error
>
> Commandline: x optic -p
> Program input is: ""
>
> ^M: Command not found.
> foreach: Words not parenthesized.
> 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
> error: command /home/shaldar/codes/wien2k/opticpara optic.def failed
>
>
> Particularly this error comes during the parallel execution of the
> code. Serial version does not produce this error.
>
> On Wed, Jun 6, 2012 at 8:56 AM, Peter Blaha
> <pblaha at theochem.tuwien.ac.at <mailto:pblaha at theochem.tuwien.ac.at>>
> wrote:
>
> Here is the modified opticpara_lapw
>
>
> Am 05.06.2012 19:36, schrieb soumyajyoti haldar:
>
> Dear Prof. Blaha,
>
> How we can get the modified file? Will you update the file
> after modification in the download section of the site ?
>
>
> On Tue, Jun 5, 2012 at 3:56 PM, Peter Blaha
> <pblaha at theochem.tuwien.ac.at
> <mailto:pblaha at theochem.tuwien.ac.at>
> <mailto:pblaha at theochem.tuwien.ac.at
> <mailto:pblaha at theochem.tuwien.ac.at>>> wrote:
>
> You are absolutely right. $SCRATCH is not used consistently
> in x_lapw and opticpara
>
> I'll add ${scratch} in front of all $case.symmat_$i$updn
> lines (and similar for other files)
> in opticpara_lapw.
>
>
> --
>
> P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300 <tel:%2B43-1-58801-165300>
> FAX: +43-1-58801-165982 <tel:%2B43-1-58801-165982>
> Email: blaha at theochem.tuwien.ac.at
> <mailto:blaha at theochem.tuwien.ac.at> WWW:
> http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
>
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>
>
>
>
> --
> Soumyajyoti Haldar, PhD Student
>
> Department of Physics and Astronomy, Materials Theory
> Ångström Laboratory, Office Å13235 | Uppsala University
> Box 516, SE-75120, Uppsala, SWEDEN
>
> Phone: (+46) 18 471 5860
> Mobile: (+46) 070 0399 394
> http://www.physics.uu.se/en/page/soumyajyoti-haldar
>
>
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