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

Thu Sep 4 22:34:37 CEST 2014

I'm confused. Your order is that espresso must be implemented in
virtualbox? I have worked with this software. and the loss of efficiency is
very high. Efficiency is very important in my work. In any case, I am
willing to cooperate with you to test its performance.

best regards

On Thu, Sep 4, 2014 at 11:19 PM, Axel Kohlmeyer <akohlmey at gmail.com> wrote:

> 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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> >> http://pwscf.org/mailman/listinfo/pw_forum
> >
> >
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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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