[Pw_forum] wrong results from parallel running of ph.x
Jia Zhang
kevinjiazhang at gmail.com
Thu Oct 11 16:02:38 CEST 2012
Hi all,
Recently, I'm trying the the parallel running of ph.x to get the
phonon dispersion for example,
bcc Fe.I'm following the method from web
"http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PH.html#start_q"
<http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PH.html#start_q>
by the following method:
1) run pw.x with nproc processors and npools pools.
2) run ph.x with nproc*nimage processors, npools pools and nimage images.
3) run ph.x with the same input and recover=.true. on nproc processors
and npools pools and only one image.
It is found that the parallel result seems incorrect and containing
negative frequency.But at other hand the serial running seems correct.
Any suggestions?
And also, there is another grid method to run ph.x. If we have
parallel version and split the q points automatic
why do we need the grid? Which one should be the better choice?
Thanks in advance.
Best,
Jia
-----------------------------------------------------------
Jia Zhang, PhD
1st Physics Institute,
Justus-Liebig University of Giessen,
Heinrich-Buff-Ring 16,
35392 Giessen, Germany
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