On an older, slower computer system, I was able to reproduce the error
displayed in w2web as:
*System Error*
Couldn't write to /.
_back to last page_
To produce the error, what I did in w2web was 1) I clicked the "view
case.outputd and cp case.in0_std case.in0" button, 2) paused about 5
seconds, and 3) clicked the "Save and initlapw" button.
The file size of the case.outputd is 43.6 MB. I suspect the error
results because my computer is slow in opening the case.outputd file
where I clicked on the save button before the file got opened up.
When I clicked "view case.klist" followed by clicking as fast as
possible "Save and initlapw", I do not encounter the same error. The
file size of case.klist, however, is only 101 bytes.
I also 1) clicked the "view case.outputd and cp case.in0_std case.in0"
button, 2) paused about 1 minute, and 3) clicked the "Save and initlapw"
button. When doing that, the error did not occur.
I put the 43.6 MB case.outputd on a new faster computer system clicking
the "Save and initlapw" button immediately after having clicked the
"view case.outputd and cp case.in0_std case.in0" button and the error do
not appear.
From that, it seems to be a computer system resource limitation that is
causing the error.
Kind Regards,
Gavin
WIEN2k user
On 7/14/2023 4:59 AM, karina Khan wrote:
Ok I will keep this thing in my mind for future
This command works well with different systems like Cs2AgInBr6, BP but
not with system having molecular formula C24H72N8In2Br14 and C16H20O7
On Thu, 13 Jul, 2023, 8:34 PM Peter Blaha, <peter.bl...@tuwien.ac.at>
wrote:
I cannot reproduce this. It works perfectly fine with me.
Please try again in another case. Or use the recommended fast
mode. This will set automatically good parameters in case.in0/1/2
and klist, and not the "stupid" defaults of the step by step
initialization.
PS: You cannot send large images to the mailing list. There is a
limit of 40 kB per message.
Am 13.07.2023 um 11:48 schrieb karina Khan:
Dear Wien2k users,
During initialisation, I stuck up in the
step *view case.outpd and cp case.in0_std case.in0, *when I click
on the step save and initlapw, I get a *System Error couldn't
write to/. * back to last page.
However this step is working for the other sample but not for
this new sample having 32 atoms.
Looking for your suggestions
*Thanks & Regards*
*Karina Khan*
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