[Pw_forum] Looking for testers (again) for QE-5.1 binaries for windows

[Axel Kohlmeyer]

On Thu, Sep 4, 2014 at 8:19 PM, siddheshwar chopra <sidhusai at gmail.com> wrote:
> Dear Sir,
> I  willing to run QE on my Windows xp (with 2 GB RAM and dual core 2.7 GHz
> cpu) and windows 7 (with 2GB  RAM and i3 2.2 GHz ) machines..
> Sir I would be glad if you could clarify one doubt.. Is will there be any
> DEGRADATION of QE performance on windows, as compared to linux?
> I have used cygwin and virtualbox and found severe performance degradations.

the executables are compiled with a mingw cross-compiler on a linux
machine. so the performance should be equivalent to what you achieve
with gfortran and gcc on a linux box. compared to cygwin it is likely
a bit faster. at least that is what people found with a different
package.

 there are a few things where windows is better than linux and some
other things where it is worse. it depends a lot on the specific
windows version. with numerical codes like QE, often the compiler and
optimized BLAS/LAPACK libraries is the biggest impact. with virtual
machines, the problem is often the limited amount of RAM. if you care
about performance, obtain an academic license for the intel compilers
with MKL and run on a linux machine. it is well worth the money (often
cheaper than the equivalent CPU upgrade)

the primary motivation to provide windows binaries is to make QE more
accessible for classrooms and tutorials and for people that want to
run tests on their own machine (not everybody runs linux on their
laptops) before sending larger versions of the same calculation to a
cluster or a supercomputer. so the best performance is not the highest
priority.

if you are able to make properly documented comparative benchmarks,
i'd be happy to get to know pass that information on to other users in
the documentation of the windows port.




> I would eagerly wait for your mail regarding the download links.
>
> Kind Regards,
>
> On 04-Sep-2014 11:27 pm, "Axel Kohlmeyer" <akohlmey at gmail.com> wrote:
>>
>> On Thu, Sep 4, 2014 at 7:52 PM, ehsan targholi <targholi at gmail.com> wrote:
>> > Hi
>> > Dear axel
>> > It's a very interesting idea. I'm interested to running it in Windows
>> > and in
>> > parallel version. What should I do؟
>>
>> just wait for my e-mail telling you where to find the temporary
>> repository and the installer packages.
>>
>> what kind/version of windows are you running and how much RAM and how
>> many CPU cores do you have?
>>
>> >
>> >
>> > best regards
>> > E.Targholi
>> >
>> >
>> >
>> > On Thu, Sep 4, 2014 at 9:14 PM, Axel Kohlmeyer <akohlmey at gmail.com>
>> > wrote:
>> >>
>> >> hi everybody,
>> >>
>> >> following up on my previous request last fall, i am looking again for
>> >> folks that are interested to run quantum espresso on windows?
>> >>
>> >> last fall some of you helped to improve the development version of QE
>> >> so it can be compiled and run on windows machine (in serial and
>> >> parallel). now i finally found the time to update this to the recent
>> >> release 5.1 and built a new set of packages. before we unleash those
>> >> to the general audience, and particularly inexperienced QE noobies, i
>> >> want to make certain that everything works reasonably well.
>> >>
>> >> i only have very limited access to windows (on a virtual machine) and
>> >> practice with it (the compilation is done with a cross compiler on
>> >> linux) and thus cannot test very thoroughly (and don't have the time),
>> >> so it seem just logical to farm this out to the QE community.
>> >>
>> >> if you are still interested, please contact me off-list with a short
>> >> description of what kind of setup you are willing to test on (CPU,
>> >> windows version, 32-bit or 64-bit, MPI or serial or both). i will then
>> >> point you to a webpage with some instructions and a link to a
>> >> repository where you can download the new packages as soon as they are
>> >> available.
>> >>
>> >> thanks,
>> >>     axel.
>> >>
>> >> --
>> >> 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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>> >
>> >
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>>
>>
>> --
>> 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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>
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-- 
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.