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, --Suchit On Wed, Jun 1, 2016 at 8:55 AM, Axel Kohlmeyer <akohl...@gmail.com> wrote: > On Wed, Jun 1, 2016 at 11:02 AM, Suchit <such.e...@gmail.com> 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 akohl...@gmail.com http://goo.gl/1wk0 > College of Science & Technology, Temple University, Philadelphia PA, USA > International Centre for Theoretical Physics, Trieste. Italy. >
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