Page 1 of 1

p2y error

Posted: Mon Mar 21, 2011 1:44 pm
by sdwang
When I type >p2y , it has

<---> [01] P(W) 2 Y(ambo) Ver. 4.0
<---> DBs path set to .
<---> Index file set to data-file.xml
<---> Index file not found! Check p2y version...

My configure is :
./configure --enable-options-check=no --with-iotk=/home/sdwang/espresso-4.1.2/iotk/ --with-p2y=4.0 --with-mpi=/home/sdwang/mpich2/lib/libmpichf90.a
-v3.2.1-yambo
Thanks!

Re: p2y error

Posted: Mon Mar 21, 2011 2:52 pm
by Daniele Varsano
Dear Shhudong,

the p2y interface cannot find the data-file.xml file.
Be sure you are in the .save directory, otherwise you have to redirect:

Code: Select all

p2y -F $YOURPATH/data-file.xml
Be sure you activated the wfcollect flag in your pw calculation.
Detailed instructions can be found here.
Cheers,

Daniele