[Wien] System Error at Phase 20

[SWG]

Dear WIEN2k users,

 

After finishing with an XSPEC calculation, I went back to the initialization
stage and attempt to run another calculation with an increased k-mesh value.
I did not start at the beginning of initialization but proceeded straight to
"x kgen" and follow by "dstart". All was going well until I attempt to save
the case.outputd during phase 20:

 

View case.outputd - when attempt to save, it gives error page: 

System Error

Couldn't write to /.

 

When I return to the initialization page again, it says to Restart with
phase 20. However, this eventually brings me back to the same error page
described above! The only way I could proceed to next stage is to continue
without saving the case.outputd file.

 

I checked the timing of when the case.outputd file was created, and it
seemed that it may have been created after the dstart cycle. It only did not
attempt to "save" the file after I viewed it during phase 20.

 

Hence my questions are:

 

[1] Does anyone know why it is giving the error page? Is the error message
valid and significant or can it be ignored?

 

[2] Should I not have continued to the SCF stage unless I could actually
re-save the case.outputd file?

 

[3] Should I have started the whole new calculation from the beginning of
initialization stage, rather than attempting it from the  "x kgen" phase?

 

[4] Were any of the original files "protected", hence it did not allow to be
over-written when a new calculation was done in the same directory?

 

Please help to clarify these few minor details. Many thanks in advance.

 

Regards,

 

Siew Wei GOH

School of Chemistry

University of New South Wales

Sydney NSW 2052, Australia

Tel: +61 (2) 9385 5519

 

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