Yambo Community Forum

Dear Developers

I try to use 'yambo -g n' command to create yambo.in file for GW calculations, but some problem happens, because
the yambo.in file is:

# __ __ ________ ___ __ __ _______ ______
# /_/\/_/\ /_______/\ /__//_//_/\ /_______/\ /_____/\
# \ \ \ \ \\::: _ \ \\::\| \| \ \\::: _ \ \\:::_ \ \
# \:\_\ \ \\::(_) \ \\:. \ \\::(_) \/_\:\ \ \ \
# \::::_\/ \:: __ \ \\:.\-/\ \ \\:: _ \ \\:\ \ \ \
# \::\ \ \:.\ \ \ \\. \ \ \ \\::(_) \ \\:\_\ \ \
# \__\/ \__\/\__\/ \__\/ \__\/ \_______\/ \_____\/
#
# GPL Version 3.2.3 Revision 676
# http://www.yambo-code.org
#
setup # [R INI] Initialization


and nothing more !!
would you help me to overcome this problem ?
Thanks in advance.

Cheers
Sam
********************************************
Sam Azadi
Institute of Physical Chemistry and
Center for Computational Sciences
Johannes Gutenberg University Mainz
Staudinger Weg 9
D-55128 Mainz
Germany
azadi@uni-mainz.de
+49/(0)6131/39-26844

Dear Sam,

did you run the setup first?
Please check if you have the setup databases (db.gopes, db.kinx, etc) in the SAVE directory.
Next if you want to perform a GW calculation, you need also to calculate the screened potential,
so build the input as
yambo -p p -g n
for instance, in the case you want to use the plasmon-pole approximation.


Cheers,

Daniele

Dear Daniele

p2y generates SAVE directory, *.db1 and *.wf but in the setup run (yambo without any input) I get this error:

yambo: cannot access CORE database (SAVE/*db1 and/or SAVE/*wf)

could you help me to solve this problem ?
I attached config.log file.

Bests
Sam

Dear Sam,
have you checked in the forum if you can find the answer to your problem?
For instance, please have a look to this posts.

Cheers,

Daniele

Dear Daniele

I have "/usr/local/lib/libnetcdf.a" and "/usr/local/include/netcdf.h"
but when I do:

./configure --with-iotk="/home/sam/espresso-4.2.1/iotk" --with-p2y=4.0 --with-netcdf-lib="/usr/local/lib/" --with-netcdf-include="/usr/local/include/"

yambo doesn't link to them:

checking for NetCDF in /usr/local/lib/... no
# [ ] NETCDF/Large Files

also I found this error in config.log file:
**************************
use netcdf
1
Fatal Error: Can't open module file 'netcdf.mod' for reading at (1): No such file or directory
configure $? = 1
configure: failed program was:
| program main
| use netcdf
| end
configure mpif90 -c -M/usr/local/include/ -O3 -mtune=native conftest.f90 >&5
Warning: Using -M <directory> is deprecated, use -J instead
conftest.f90:2.10:
*******************************
Thanks for your help.

Ciao,
Sam

Dear Sam

please try the new version of Yambo, version 3.2.4:

http://www.yambo-code.org/download.php

we improved the configuration script to link the netcdf.

let us know
Claudio

Dear Claudio

I tried the new version, but still there is same problem.
I attached config.log file.
Thanks for your help.

Ciao
Sam

Dear Sam

the problem is that you do not have the file "netcdf.mod" that is the one requires by Yambo

if you have ubuntu just install libnetcdf-dev

otherwise download netcdf and compiler with fortran support

cla

Dear Claudio

I installed libnetcdf-dev, there is no more problem in configure
but there is an error in making (more precisely at Linking yambo ).
I attached error. I really appreciate your help.

Ciao
Sam

error file of previous email.
Sam