On Wed, Jun 1, 2016 at 1:06 PM, Suchit <[email protected]> wrote: > Hi Axel, > > Good idea! QE-5.3.0 from the site you provided (after uninstalling the one > that I had installed from QE site) didn't work either. However, QE-5.2.1 > from both the alternate site as well as the QE download site successfully > runs an SCF calculation in parallel. All these tests were performed with the > 64-bit MPICH2 versions.
thanks a lot. that is helpful. now i need to look for the problem, which is likely on the linux machine where those packages are compiled and assembled. :-( axel. > > Thanks, > --Suchit > > On Wed, Jun 1, 2016 at 8:55 AM, Axel Kohlmeyer <[email protected]> wrote: >> >> On Wed, Jun 1, 2016 at 11:02 AM, Suchit <[email protected]> wrote: >> > Hi Axel, >> > >> > Thank you for your response. I determined that the serial version is >> > installed by running an SCF calculation on Silicon, and looking at the >> > first >> > few lines of the output file, which reads either "Serial version" or >> > "Parallel version (MPI & OpenMP)" depending on which version is being >> > used. >> > I also ran "mpiexec -np 4 pw -i Si.scf.in > Si.scf.out," which performed >> > SCF >> > calculations in serial mode in 4 different processors. >> >> can you please try to uninstall the QE version on your windows >> partition and check against the binaries posted on the alternate >> download site here: >> >> http://rpm.lammps.org/qe4win/release/index.html >> >> please also make certain, that you have only one version, serial or >> parallel installed at the same time. >> >> > Now, however, I have finally decided to just perform QE research using a >> > Linux virtual machine which is actually working out pretty well, and the >> > parallel version is working. >> >> that is good for you, but i'd like to track down the origin of this, >> i.e. whether there is an issue with the installer packages or the >> binaries on qe-forge are mixed up. so in the interest of other QE >> users on windows, please make the test i suggested. >> >> thanks, >> axel. >> >> >> > Best Regards, >> > --Suchit >> >> >> >> -- >> Dr. Axel Kohlmeyer [email protected] http://goo.gl/1wk0 >> College of Science & Technology, Temple University, Philadelphia PA, USA >> International Centre for Theoretical Physics, Trieste. Italy. > > -- Dr. Axel Kohlmeyer [email protected] http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
