[Pw_forum] Unable to Successfully Install Parallel Version of QE on Windows

Axel Kohlmeyer akohlmey at gmail.com
Wed Jun 1 17:55:48 CEST 2016


On Wed, Jun 1, 2016 at 11:02 AM, Suchit <such.engr at 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  akohlmey at 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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