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!
p2y error
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Daniele Varsano
- Posts: 3816
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Re: p2y error
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:
Be sure you activated the wfcollect flag in your pw calculation.
Detailed instructions can be found here.
Cheers,
Daniele
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
Detailed instructions can be found here.
Cheers,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/