Abinit 6.12.3 Configuration Ubuntu 12.04

option, parallelism,...

Moderators: fgoudreault, mcote

Forum rules
Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
Locked
jbrancho
Posts: 1
Joined: Wed Aug 17, 2011 9:12 pm

Abinit 6.12.3 Configuration Ubuntu 12.04

Post by jbrancho » Mon Aug 13, 2012 9:03 pm

Hello all,

I am very new to Abinit and have tried several different configuration methods to try to get it installed today. My final configuration (which may be working) is to use

Code: Select all

CC=/usr/bin/gcc
CXX=/usr/bin/g++
FC=/usr/bin/gfortran


where each is the newest available version. This configuration gives a clean config run, but the make is spitting out some warnings that I am alarmed about. They all follow the form

Code: Select all

  call comb_rot_grow_loc_2(nfl1,nfu1,nfl2,nfu2,nfl3,nfu3,w1,w2,ibzxx,ibxxyy) 
                                                            1
Warning: Dummy argument 'w2' with INTENT(IN) in variable definition context (actual argument to INTENT = OUT/INOUT) at (1)
xcenergy.f90:49.57

or

Code: Select all

     chv=chv+charge_from_gaussians(atoms%nlccpar(0,ilcc),atoms%nlccpar(1,ilcc))
                                                         1
Warning: Element of assumed-shaped or pointer array passed to array dummy argument 'rhoc' at (1)
xcenergy.f90:63.57:


There are many of these same errors arising in what I would guess are different methods. Is this a sign that the build is bad? If so, what steps might I take to fix it? Or is this a routine warning that I should ignore?

EDIT: An update: the program built using this scheme passes the self tests as described in the installation notes on the ABINIT website.

Locked