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

[Axel Kohlmeyer]

On Wed, Jun 1, 2016 at 1:06 PM, Suchit <such.engr at gmail.com> 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 <akohlmey at gmail.com> wrote:
>>
>> 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.
>
>



-- 
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.