[Pw_forum] about the program style of pwscf

[Wei Zhou]

thank you very much for all you suggestions.
best regards

2010/8/11 Goranka Bilalbegovic 

>
>
>  On Wed, Aug 11, 2010 at 5:36 PM, Brad Malone wrote:
>
>> The book 'FORTRAN 90/95 for Scientists and Engineers' goes through basic
>> FORTRAN 90 syntax, and is pretty good. There's a new book out for FORTRAN
>> 95/2003, but the differences should be minor.
>>
>>
> New books for Fortran 95/2003 are:
>
> M. Metcalf, J. Reid, Fortran 95/2003 Explained, Oxford University Press
> (2004)
>
> S. J. Chapman, Fortran 95/2003 for Scientists and Engineers, McGraw Hill
> (2007)
>
> J. C. Adams, W. S. Brainerd, R. A. Hendrickson, R. E. Maine, J. T. Martin,
> B. T. Smith, The Fortran 2003 Handbook, Springer (2009)
>
> W. S. Brainerd, Guide to Fortran 2003 Programming, Springer (2009)
>
> Best regards,
>  --
> Goranka Bilalbegovic,
> Department of Physics, Faculty of Science,
> University of Zagreb, Croatia
>
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>


-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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[Pw_forum] about the program style of pwscf

[Wei Zhou]

thank you for all replies, according to your suggestions, I think I shoud
learn something about makefile .



2010/8/11 Huiqun Zhou 

>  I guess you may have been familiar with programming in FORTRAN 77,
> what you need is to find a textbook for FORTRAN 90/95 as the syntax
> of FORTRAN 90/95 is to some extent different from that of FORTRAN 77.
> The FORTRAN xx language itself is the same whether used under Linux
> or Widows.
>
> huiqun zhou
> @earth sciences, nanjing university, china
>
>
>   - Original Message -
> *From:* Wei Zhou 
> *To:* pw_forum at pwscf.org
> *Sent:* Wednesday, August 11, 2010 4:23 PM
> *Subject:* [Pw_forum] about the program style of pwscf
>
> Hello everyone.
> In face I have learned how to write fortran program, and also
> have writen small program, but when I try to read the program of pwscf, I
> feel puzzled,  is there some book about the write fortran in linux. I just
> want to learn write fortran in linux normally.
> any suggestion will be appreciated.
>
> --
> ZhouDawei
> JiLin Universiyt ,ChangChun ,China
> zdw2000 at gmail.com
>
> --
>
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>


-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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[Pw_forum] about the program style of pwscf

[Huiqun Zhou]

I guess you may have been familiar with programming in FORTRAN 77,
what you need is to find a textbook for FORTRAN 90/95 as the syntax
of FORTRAN 90/95 is to some extent different from that of FORTRAN 77.
The FORTRAN xx language itself is the same whether used under Linux
or Widows.

huiqun zhou
@earth sciences, nanjing university, china
 
  - Original Message - 
  From: Wei Zhou 
  To: pw_forum at pwscf.org 
  Sent: Wednesday, August 11, 2010 4:23 PM
  Subject: [Pw_forum] about the program style of pwscf


  Hello everyone.
  In face I have learned how to write fortran program, and also 
have writen small program, but when I try to read the program of pwscf, I feel 
puzzled,  is there some book about the write fortran in linux. I just want to 
learn write fortran in linux normally.
  any suggestion will be appreciated.

  -- 
  ZhouDawei
  JiLin Universiyt ,ChangChun ,China
  zdw2000 at gmail.com



--


  ___
  Pw_forum mailing list
  Pw_forum at pwscf.org
  http://www.democritos.it/mailman/listinfo/pw_forum
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[Pw_forum] about the program style of pwscf

[Wei Zhou]

first thank you for you reply in details, yes ,just like you said, the pwscf
is written mostly in standard Fortran90, and what I want to is just to learn
this standard style of program.
2010/8/11 Gabriele Sclauzero 

>
> Pardon me, but your question is rather bizarre. PWscf is written mostly in
> standard Fortran90 (plus some parts in C and F77 for library functions in
> clib and flib), so if you know this language you should not find very
> difficult to read the code. In theory, programming F90 for either Linux or
> Windows or whatever OS should make no difference, since it is the compiler
> which takes care of translating your program into a language which can be
> understood by your hardware/software combination (in practice there may be
> some small things to fix, but you don't need to care about that at this
> stage).
>
> Regarding the learning of F90 language, well I guess you can start with
> some tutorial that you can find on the web (just search for "Fortran 90
> tutorial" or something similar) or borrow any F90 programming textbook from
> the library.
>
> Regards
>
> GS
>
>   Il giorno 11/ago/2010, alle ore 10.23, Wei Zhou ha scritto:
>
>   Hello everyone.
> In face I have learned how to write fortran program, and also
> have writen small program, but when I try to read the program of pwscf, I
> feel puzzled,  is there some book about the write fortran in linux. I just
> want to learn write fortran in linux normally.
> any suggestion will be appreciated.
>
> --
> ZhouDawei
> JiLin Universiyt ,ChangChun ,China
> zdw2000 at gmail.com
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>
>
> ? Gabriele Sclauzero, EPFL SB ITP CSEA
> *   PH H2 462, Station 3, CH-1015 Lausanne*
>
>
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>


-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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[Pw_forum] about the program style of pwscf

[Goranka Bilalbegovic]

On Wed, Aug 11, 2010 at 5:36 PM, Brad Malone  wrote:

> The book 'FORTRAN 90/95 for Scientists and Engineers' goes through basic
> FORTRAN 90 syntax, and is pretty good. There's a new book out for FORTRAN
> 95/2003, but the differences should be minor.
>
>
New books for Fortran 95/2003 are:

M. Metcalf, J. Reid, Fortran 95/2003 Explained, Oxford University Press
(2004)

S. J. Chapman, Fortran 95/2003 for Scientists and Engineers, McGraw Hill
(2007)

J. C. Adams, W. S. Brainerd, R. A. Hendrickson, R. E. Maine, J. T. Martin,
B. T. Smith, The Fortran 2003 Handbook, Springer (2009)

W. S. Brainerd, Guide to Fortran 2003 Programming, Springer (2009)

Best regards,
-- 
Goranka Bilalbegovic,
Department of Physics, Faculty of Science,
University of Zagreb, Croatia
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[Pw_forum] about the program style of pwscf

[Wei Zhou]

Hello everyone.
In face I have learned how to write fortran program, and also
have writen small program, but when I try to read the program of pwscf, I
feel puzzled,  is there some book about the write fortran in linux. I just
want to learn write fortran in linux normally.
any suggestion will be appreciated.

-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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[Pw_forum] about the program style of pwscf

[Goranka Bilalbegovic]

Sorry, google mail did not send my signature, hope that now is OK.

On Wed, Aug 11, 2010 at 11:47 AM, Goranka Bilalbegovic <
gbilalbegovic at gmail.com> wrote:

> If someone is an absolute beginner, and there is  nobody around in real
> life to help, then after finishing with the Fortran tutorial, for example:
> http://www.cs.mtu.edu/~shene/COURSES/cs201/NOTES/fortran.html
> it is perhaps rather hard to understand how Quantum Espresso and pwscf are
> organized.
>
> Perhaps, for computing/programming, it is useful to read about:
>
> Make:  
> http://en.wikipedia.org/wiki/Make_(software)
> Configure script: http://en.wikipedia.org/wiki/Configure_script
>
> and also to check some of the Tutorials by Paolo Giannozzi:
>
> The Quantum ESPRESSO Software Distribution:
> http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_overview.pdf
> Notes on parallel computing:
> http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_para.pdf
>
> and, of course, a review article about QE:
> http://iopscience.iop.org/0953-8984/21/39/395502/
>
> Best regards,
>



-- 
Goranka Bilalbegovic,
Department of Physics, Faculty of Science,
University of Zagreb, Croatia
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[Pw_forum] about the program style of pwscf

[Goranka Bilalbegovic]

If someone is an absolute beginner, and there is  nobody around in real life
to help, then after finishing with the Fortran tutorial, for example:
http://www.cs.mtu.edu/~shene/COURSES/cs201/NOTES/fortran.html
it is perhaps rather hard to understand how Quantum Espresso and pwscf are
organized.

Perhaps, for computing/programming, it is useful to read about:

Make:  http://en.wikipedia.org/wiki/Make_(software)
Configure script: http://en.wikipedia.org/wiki/Configure_script

and also to check some of the Tutorials by Paolo Giannozzi:

The Quantum ESPRESSO Software Distribution:
http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_overview.pdf
Notes on parallel computing:
http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_para.pdf

and, of course, a review article about QE:
http://iopscience.iop.org/0953-8984/21/39/395502/

Best regards,
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[Pw_forum] about the program style of pwscf

[Gabriele Sclauzero]

Pardon me, but your question is rather bizarre. PWscf is written mostly in 
standard Fortran90 (plus some parts in C and F77 for library functions in clib 
and flib), so if you know this language you should not find very difficult to 
read the code. In theory, programming F90 for either Linux or Windows or 
whatever OS should make no difference, since it is the compiler which takes 
care of translating your program into a language which can be understood by 
your hardware/software combination (in practice there may be some small things 
to fix, but you don't need to care about that at this stage).

Regarding the learning of F90 language, well I guess you can start with some 
tutorial that you can find on the web (just search for "Fortran 90 tutorial" or 
something similar) or borrow any F90 programming textbook from the library.

Regards

GS

Il giorno 11/ago/2010, alle ore 10.23, Wei Zhou ha scritto:

> Hello everyone.
> In face I have learned how to write fortran program, and also 
> have writen small program, but when I try to read the program of pwscf, I 
> feel puzzled,  is there some book about the write fortran in linux. I just 
> want to learn write fortran in linux normally.
> any suggestion will be appreciated.
> 
> -- 
> ZhouDawei
> JiLin Universiyt ,ChangChun ,China
> zdw2000 at gmail.com
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum


? Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne

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[Pw_forum] about the program style of pwscf

[Brad Malone]

The book 'FORTRAN 90/95 for Scientists and Engineers' goes through basic
FORTRAN 90 syntax, and is pretty good. There's a new book out for FORTRAN
95/2003, but the differences should be minor.

Best,
Brad Malone
UC Berkeley

On Wed, Aug 11, 2010 at 3:19 AM,  wrote:

>
> first thank you for you reply in details, yes ,just like you said, the
> pwscf
> is written mostly in standard Fortran90, and what I want to is just to
> learn
> this standard style of program.
> 2010/8/11 Gabriele Sclauzero 
>
>
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