[Pw_forum] AIX + XML files

Gianni Profeta Gianni.Profeta at aquila.infn.it
Sat Nov 25 17:07:10 CET 2006


Dear users,

I find the following problem on IBM AIX Version 5.1  running 
parallel version of pw.x from versions > 3.1 (including the CVS version).

1) Configure and compilation proceed without problems (as usual for this 
type of machine and for all the versions of the code)

2) running a test input (one k-point) the code stops with the following 
error message just before the first scf iteration:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      from write_rho_xml : error #         1
      cannot opentmp/Al.save/charge-density.xml file for writing
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

3) increasing the k-point mesh, the code does not stop but remains 
running (even if it does not produce outputs)

I think the problem is related to the iotk library, indeed 
I found a post of Paolo regarding the incompatibility of iotk library in 
AIX enviroment.
http://www.democritos.it/pipermail/pw_forum/2006-September/004912.html
But the proposed solution does not work, in my case.

Any suggestions?

Thank you.

Gianni



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