Dear Mona Elfadil, Q.E.3.0 was released on 2005. I would suggest you to try the newest version 4.3.2 first. You can find it here:
http://www.quantum-espresso.org/download.php HTH, Changru On 21 Sep, 2011, at 17:19, Mona M.O. Elfadil wrote: > Dear all, > We had run an example -Q.E.3.0.1- from your package few days ago > on a linux cluster- CentOS 5-, and it worked although we had no > BLAS, LAPACK nor an FFTW packages previously installed - not > surprising,since you have said so in your user guide-. > Then we had tried an experimental data. It took a single CPU 10 min to get > the results. While, unfortunately, it took a 16 CPUs more than 40 min to > process the same data. > We had tried the following: > - Referring to your user guide: It needs a detailed physics background > which is unavailable at the moment. > - Downloading these mathematical packages: > FFTW 3.1.2-3 & FFTW 2.1.5-2 > LAPACK 3_0-2 > BLAS 3_0-2 > (RPM versions) > In the configuration phase of Q.E. it said that both LAPACK and FFTW are > not found although BLASS was successfully configured. > > We could not find FFTWND in our internet search(As a packet). But in your > archive you have said it is not an error. > > Assuming that all other factors are well, what could be the cause?? > > (P.S.: we are the system administrators) > > -- > Your sincerely, > Mona Elfadil > SudREN - Network Engineer > www.suin.edu.sd > +249911319113 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Changru Ma SISSA & Theory at Elettra group email: crma at sissa.it tel: +39 040 378 7870 http://www.sissa.it/~crma ---
