[Pw_forum] Error with Xcryden for view input and output of pwscf file

[josepht at chips.ncsu.edu]

Hello,

I am resurrecting this thread - through spring cleaning, I observed the same
behavior of xcrysden reported last year by Loc Duong Dinh.  The source of the error,
at least for my case, was actually unrelated to the format/content of the pwscf
input/output file one attempts to read into xcrysden.  Instead, the error occurs
when any parent directory containing the input file has been given a name with
spaces.

e.g. load attempt of output file located in:

/HOME/JT/QE/QUANTUM\ ESPRESSO\ TESTING/postproc/uroporphyrinogen3/scf1p2r3.out
 vs
/HOME/JT/QE/QUANTUM__ESPRESSO__TESTING/postproc/uroporphyrinogen3/scf1p2r3.out

where the first case leads to load failure, and the second is successful.  This
occurs with the xc-1.5.17-linux_x86-semishared.tar.gz package; untested for others.


Joe Turnbull
North Carolina State University


On Sun, 2009-02-02 at 16:08 -0800, Tone Kokalj wrote:
>You will need to provide more info!
>How did you load the file (i.e. sequence of steps), what is the actual file (mail
it as attachement)? Only then there is a change to help. Regards, Tone
>--
>Anton Kokalj
>J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
>(tel: +386-1-477-3523 // fax:+386-1-477-3822)
>Please, if possible, avoid sending me Word or PowerPoint attachments. See: 
http://www.gnu.org/philosophy/no-word-attachments.html
>On Sun, 2009-02-01 at 18:53 -0800, loc duong ding wrote:
>> Dear all user,
>>
>>I have a problem when using Xcrysden to view input and output file of pwscf. The
error i got was:
>>wrong # args: should be "pwInputPreset file"
>>wrong # args: should be "pwInputPreset file"
>>    while executing
>>"pwInputPreset /cygdrive/g/Research/MODELLING/output_model2"
>>    ("eval" body line 1)
>>    invoked from within
>>"eval $preset $file"
>>    (procedure "openExtStruct" line 106)
>>    invoked from within
>>"openExtStruct 3 crystal external {sh
>>/home/cuteo/XCrySDen-1.5.18-bin-shared/scripts/pwi2xsf.sh} pwi2xsf.xsf_out {PWSCF
Input File} ANGS -preset pwInpu..."
>>    (menu invoke)
>>
>>I did not see this error before.
>>I great appreciate all your instructions.
>>-----------------------------------------------
>>Loc Duong Dinh
>>Ms-Ph.D Student
>>Sungkyunkwan Advanced Institute of Nanotechnology,
>>Sungkyunkwan University,
>>Suwon, 440-746, Korea
>>Email: mambom1902 at yahoo.com