[Pw_forum] 3.2 executables

[Axel Kohlmeyer]

On Tue, 20 Feb 2007, Marcel Mohr wrote:

MM> Hi
MM> 
MM> The intel fortran and c compiler are free for non-commercial. You can 
MM> download them.
MM> 
MM> Here, the compilation of pw was 
MM> 1.) really easy (the configure script does everything)
MM> 2.) not portable, due to some linked libraries (somebody who has 
MM> statically linked, can probably overcome this)

please note that due to the way the system libraries
work on linux, static binaries are _less_ portable
than dynamically linked ones. you get best portability
by linking 'semi-static', i.e. you link everything
but libc statically and do so on a very old machine
(libc is backward- but not forward-compatible).

that being said, the argument of not having a fortran
compiler is weak and installing one, e.g. g95, is
straightforward. 

cheers,
   axel.

MM> 
MM> In the current version the graphical user interface (pwgui) is missing, so 
MM> maybe try espresso-3.1.1 (for pwgui) and espresso-3.2.1 for newest 
MM> version.
MM> 
MM> Kind Regards
MM> 
MM> Marcel
MM> 
MM> ________________________________________________________________________
MM> Marcel Mohr			Institut für Festkörperphysik, TU Berlin
MM> marcel at physik.tu-berlin.de	Sekr. PN 5-4
MM> TEL: +49-30-314 24442		Hardenbergstr. 36
MM> FAX: +49-30-314 27705		10623 Berlin
MM> 
MM> 
MM> On Tue, 20 Feb 2007, Amall Ramanathan wrote:
MM> 
MM> > Hi,
MM> > Thanks for your email. I do not have a Fortran compiler thats why I was
MM> > interested if somebody who has compiled and has the executables in the bin
MM> > directory of pwscf on his comuter for version 3.2 could send me
MM> > the executables as a zipped attachment to my email. Thanks, keep in touch.
MM> > Amall*,*
MM> > amallahmad at gmail.com
MM> >
MM> > On 2/19/07, halim said <halim_said04 at yahoo.fr> wrote:
MM> >> 
MM> >> Hi,
MM> >> 
MM> >> I would like please to ask you, do you have compiler 90 fortran in your
MM> >> machine, could you please give me informations which compiler do you have 
MM> >> in
MM> >> your machine, also do you have packages for algebra optimizations.
MM> >> 
MM> >> Could you give me these informations, may be I could help.
MM> >> 
MM> >> If you have compiler intel fortran and mkl libraries are in your pc, every
MM> >> thing is fine.
MM> >> 
MM> >> just what you need to get the excecutable, type:
MM> >> 
MM> >> ./configure (first step)
MM> >> 
MM> >> make pw (second step)
MM> >> 
MM> >> if you want to compile just pw code otherwise for comipling every thing
MM> >> you should type make all.
MM> >> 
MM> >> I am looking forward your email.
MM> >> 
MM> >> Regards,
MM> >> 
MM> >> Halim
MM> >> 
MM> >> 
MM> >> 
MM> >> *Amall Ramanathan <amallahmad at gmail.com>* a écrit :
MM> >> 
MM> >> Hi,
MM> >> I am a new user and would appreciate it if aybody who has complied pwscf
MM> >> version 3.2 for a  sequential pentium 4 machine under linux can send me
MM> >> only the executables bin folder in zip or tar format as a attachment to my
MM> >> email or please put it in the pwscf.org home so that I and anybody else in
MM> >> need of it can download it.
MM> >> Thanks,
MM> >> Amall
MM> >> amallahmad at gmail.com
MM> >> 
MM> >>
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MM> >> 
MM> >> 
MM> >

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
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