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
