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<p><font size="-1">P.S. <br>
</font></p>
<p><font size="-1">be aware that if the wavefunctions are not saved
to disk they are stored in memory and if they are too many for
the disk I kind of guess they will be too many for the memory as
well. <br>
</font></p>
<p><font size="-1"><br>
</font></p>
<div class="moz-cite-prefix">On 03/12/19 11:18, Pietro Delugas
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:e72e212b-cbc0-cf70-0d9b-c886616343cb@sissa.it">
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<p><font size="-1">Hello Ivo <br>
</font></p>
<p><font size="-1">if you use disk_io = 'low' and verbosity =
'high' the program should print the band structure in output
and avoid the usage of scratch files, the return in io_base
preventing the printout of collected wavefunctions. <br>
</font></p>
<p><font size="-1">If instead you want to use disk_io = 'medium'
you can try to replace </font><font size="-1"><tt>io_level</tt></font><font
size="-1"> at line 57 of</font><font size="-1"><tt>
PW/src/wfcinit.f90</tt></font><font size="-1"> with a </font><font
size="-1"><tt>0</tt></font><font size="-1">. <br>
</font></p>
<p><font size="-1">hope it helps <br>
</font></p>
<p><font size="-1">greetings - Pietro <br>
</font></p>
<p><font size="-1"><br>
</font></p>
<div class="moz-cite-prefix">On 03/12/19 10:49, Ivo Batistic
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:79474f5e-3103-a524-3514-b85acb05e4a6@phy.hr"> <br>
Thanks very much Pietro, <br>
<br>
I have checked and <br>
this indeed prevents wavefunctions writing in <br>
the final stage, in prefix.save directory. <br>
<br>
However, if one use disk_io='medium', <br>
there are temporary files for wavefunction storage <br>
in working directory, <br>
prefix.wfcN <br>
which at each step (k-point) grow bigger. <br>
<br>
Is there any magic, like RETURN, to prevent <br>
wavefuctions writing in these temporary files. <br>
<br>
I would be very grateful for this info. <br>
<br>
Best regards <br>
<br>
Ivo B. <br>
<br>
Department of Physics <br>
Faculty of Science, University of Zagreb <br>
<br>
<br>
02. 12. 2019. u 11:18, Pietro Delugas je napisao/la: <br>
<blockquote type="cite">Hi Ivo <br>
<br>
quick and dirty: just put a RETURN statement in
Modules/io_base.f90 at line 74 or there around and then
recompile pw.x. Obviously once done remember to remove it ;) <br>
<br>
<br>
for a more durable implementation one could add more
modulation in disk_io strings ... <br>
<br>
hope it helps <br>
<br>
regards - Pietro <br>
<br>
On 02/12/19 11:03, Ivo Batistic wrote: <br>
<blockquote type="cite">Hi to QE developers, <br>
<br>
Is is possible to disable wavefunctions writing <br>
in nscf calculations. <br>
for Fermi-surface calc, afterwards. <br>
<br>
(in QE-6.3 if it is version dependent) <br>
<br>
disk_io='none' is not an option, since <br>
it does suppress also writing of the energies. <br>
<br>
I. Batistić <br>
<br>
Department of Physics <br>
Faculty of Science, University of Zagreb <br>
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