[Q-e-developers] Problems with IO

[Pietro Delugas]

Hello Thorsten

Thanks for signaling us these issues. We will try to fix them soon.

If the version you have deployed is the tagged 6.1 version  the new 
format is activated only if you set the   "--enable-xml=yes" option 
while running the configure script (the default value for this option in 
6.1 is no).   This option in 6.1 version defines the preprocessor  flag  
-D__XSD inside  the make.inc file. When this flag is not defined  the 
program is compiled using the old XML format and discards all code 
related to new XML output. If you are using 6.1  check that the -D__XSD 
option is not there,  and you  will be using the old xml format.

The situation has been reversed in SVN revisions following  the 6.1 
release; the default value for the --enable-xml option has been set to 
"yes"   and you must specify it  as "no"  for reverting to the old XML 
format.

In  the development version  you can check inside the make.inc file that 
the  -D__OLDXML preprocessor flag is appended to the DFLAGS.   If it  
is, you are using old xml format. In case it is not it is sufficient to 
append it and recompile from scratch.

   thanks again, greetings Pietro


On 15/05/2017 18:01, Stefano Baroni wrote:
> Thank you for your note, Kurth. Please, note that the appropriate 
> address to report this kind of problems is q-e-developers at qe-forge.org 
> <mailto:q-e-developers at qe-forge.org>, to I which I am forwarding this 
> email. I am forwarding to Pietro Delugas as well, who may give you 
> direct advice on the reported issue. best regards - Stefano B
>
>> On 15 May 2017, at 17:42, Thorsten Kurth <tkurth at lbl.gov 
>> <mailto:tkurth at lbl.gov>> wrote:
>>
>> Dear developers, QE maintainers,
>>
>> we deployed QE 6.1 on Cori at NERSC and get a lot of error reports 
>> which are IO related. Most of them might be attributed to migrating 
>> to a new file form. The main errors include:
>>
>> 1) files written by pw.x cannot be read by pw2bgw.x, it complains 
>> about a missing XML.
>>
>> 2) files written by pw.x cannot be processed by gipaw either.
>>
>> Do I need to specify a certain flag to switch to the old formats as 
>> long as the new one is not fully implemented? Or are these two cases 
>> supposed to work?
>>
>> Best Regards
>> Thorsten Kurth
>
>
>
> —
> Stefano Baroni -  SISSA, Trieste - 
> http://stefano.baroni.me, stefanobaroni (skype)
>
> There are two ways of doing a theoretical calculation: you should have 
> either a clear physical model in mind, or a rigorous 
> mathematical basis. You have neither. [E. Fermi to F.J. Dyson, as 
> humbly reported by the latter]
>

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