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
