[Pw_forum] postprocess pp require wfc_collect although that was set

[Davide Tiana]

hello,
I've got a very weird problem. I optimised some structure and I would
like to plot now the frontier orbitals.
When I try to run pp it complains cause:


%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine postproc (1):
pw.x run with a different number of procs/pools. Use wf_collect=.true.

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

but

[davide at wmd-master lda]$ head opta.in
&control
calculation='vc-relax',
title='up-down',
disk_io='low',
wf_collect=.true.
prefix='up-down'
etot_conv_thr=5.0d-4,
forc_conv_thr=5.0d-3,
/


so I am a bit lost now :-S

any suggestion?

Thanks you,
Davide

[Paolo Giannozzi]

Post by Davide Tiana
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
pw.x run with a different number of procs/pools. Use wf_collect=.true.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
but
[...]
wf_collect=.true.

you should first of all verify whether the file you are reading was
really written using "wf_collect=.true.". If so, fale data-file.xml
in $outdir/$prefix.save should contain fields <WFC ... > </WFC>
(or <WFC.1 ...>, <WFC.2 ...> )

P.