[Wannier] Wannier90 for OpenVMS

[Arash Mostofi]

Dear Jouk,

Many thanks for these comments.

Regarding the character strings in plot.F90, we will modify them using 
the more compact solution that Giovanni has suggested below.

Regarding the other comments, I would prefer not to modify the main 
release with platform-dependent compiler directives, especially for 
platforms that we do not have the means to test ourselves. When we 
release the new version of the code, I hope it would not be too much 
trouble for you to update your patch for it.

Best wishes,

Arash

--
Dr Arash A Mostofi
Departments of Materials and Physics
Deputy Director, CDT on Theory and Simulation of Materials
Imperial College London, London SW7 2AZ, UK
+44 (0)207 594 8154 | www.cmth.ph.ic.ac.uk/people/a.mostofi

On 26/04/2012 12:40, Giovanni Pizzi wrote:
> Dear Jouk,
> thanks for the comments.
>
> I just answer for what concerns the strings in src/plot.F90.
>
> First a question: on OpenVMS, instead of defining the len_ctemp array
> and using
>
> // ctemp(1)( 1:len_ctemp( 1 ) ) //
>
> would also the following work?
>
> // trim(ctemp(1)) //
>
>
> And regarding the \0: it is actually intended to print a slash followed
> by a zero digit (this is a code which is then interpreted by xmgrace
> when it reads the output file; the same applies to the \x string, which
> switches - in xmgrace - to greek fonts).
>
> Regards,
> Giovanni Pizzi
>
>
>
> On 04/26/2012 10:54 AM, Jouk Jansen wrote:
>> Hi all,
>>
>> I created a port of WANNIER90 for OpenVMS. Doing this I stumpbled on a
>> coding error (see below). Info on the port can be found at:
>>    http://nchrem.tnw.tudelft.nl/openvms/software2.html#WANNIER
>>
>> The patch file contains files of the following kinds:
>>     descrip.mms  : These are the OpenVMS variants of the makefiles
>>     src/*.F90    : Changed some compiler directions (aliasses) to get the
>>                    right LAPACK routines linked in.
>>     src/plot.F90 : In fortan when concatenating a string always the whole length
>>                    specified is used regardless the contents (not like C where
>> 		 the character-0 terminates the string) Therfore some
>> 		 concatenations were meaningless because the righthandside
>> 		 of the equal sign conactenated something at a location
>> 		 larger than the string at the lefthand-side.
>> 		 I changed the code slightly to overcome the problem (marked
>>                    with #ifdef VMS ... #endif)
>>     src/getarg.F90
>>     src/iargc.F90 : Added OpenVMS-code for these non-standard functions
>>     tests/*vms.pl : OpenVMS variant of the perl-script. Corrects for the fact
>>                     that filesyntax for OpenVMS is different.
>>
>> 	
>> Please feel free to include these changes into the next version of WANNIER90
>>
>>           Regards
>> 	    Jouk
>> 	
>> 	
>> P.S.
>>
>> I noticed in src/Plot.F90 strings containing "\0" . Is it realy menat to
>> contain "\0" or is this C-like code meant to include the 0 character? If it
>> is the latter, note that this is not garanteed to work for Fortran (i.e. it does
>> not on OpenVMS). the standard way to do this is the use of char(0). The same
>> hold for all other "special" characters.
>>
>>                          JJ
>>
>>
>> Pax, vel iniusta, utilior est quam iustissimum bellum.
>>       (free after Marcus Tullius Cicero (106 b.Chr.-46 b.Chr.)
>>        Epistularum ad Atticum 7.1.4.3)
>>
>>> ------------------------------------------------------------------------------<
>>     Jouk Jansen
>> 		
>>     joukj at hrem.nano.tudelft.nl
>>
>>     Technische Universiteit Delft        tttttttttt  uu     uu  ddddddd
>>     Kavli Institute of Nanoscience       tttttttttt  uu     uu  dd    dd
>>     Nationaal centrum voor HREM              tt      uu     uu  dd     dd
>>     Lorentzweg 1                             tt      uu     uu  dd     dd
>>     2628 CJ Delft                            tt      uu     uu  dd     dd
>>     Nederland                                tt      uu     uu  dd    dd
>>     tel. 31-15-2782272                       tt       uuuuuuu   ddddddd
>>
>>> ------------------------------------------------------------------------------<
>> _______________________________________________
>> Wannier mailing list
>> Wannier at quantum-espresso.org
>> http://www.democritos.it/mailman/listinfo/wannier
>
>