[Pw_forum] condor grid script

[Goranka Bilalbegovic]

On 7/8/08, Paolo Giannozzi <giannozz at democritos.it> wrote:

>  >      from readpp : error #        29
>  >      file ... Si.vbc.UPF not found

> this is very funny: three dots and a space? Anyway: I would try first
>  to set
>  pseudo_dir='./' in siscf.in . This will search for file Si.vbc.UPF in
>  the
>  current directory (whatever it is).

Of course it is funny because I have replaced the name of my dir by
three dots (sorry !). The error message is:
file /home/user/espresso/pseudo/Si.vbc.UPF not found


>  Disclaimer: I know close to nothing about the grid.

Me too, but I have to learn to use the grid because the University
computing center have decided to support the grid computing only.

Perhaps, it is interesting for this list that people on TeraGrid work for some
time on the espresso implementation:
http://sangpall.blogspot.com/2008/01/compiling-espresso-in-tg-machines.html
and
http://sangpall.blogspot.com/2008_01_01_archive.html

Dr Pallikara have told me that he actually did not do anything special to
implement pwscf on his grid. Of course, he manages TeraGrid  an they
have installed the program on the grid. I was doing everything from my
own directory.

Programs with a simple input-executable-output line work without any
problems, but as for now I am  not able to run espresso jobs using all
these Condor/GridWay/GRAM/WS-GRAM grid related scripts. However, I
have just learn how to use uberftp to transfer all my directories
directly to the grid and hope that soon everything is going to be OK
on the grid.

Best regards,
Goranka Bilalbegovic
Department of Physics,
Faculty of Science,
University of Zagreb, Croatia