Hi,
I have tried to install different versions of Abinit, presently the 6.2.3 version, but I always get into some trouble when doing the PAW1 tutorial.
Solving the problem using the 6c.pspnc psp works well, but not for 6c.lda.atompaw, for at the end of the log file get the following error message:
{
psp7in: ERROR -
This version of PAW psp file ( 4) is not compatible with
current version of Abinit.
leave_new : decision taken to exit ...
}
Also at line 20 of the same log file it says that the version of Abinit is 5.3.4, which I find really strange as it is the 6.2.3 that I have downloaded.
I do believe the fault lies with my installation, but I can not find out what I did wrong, so here is what I did after the unpacking of the abinit-6.2.3.tar.gz file (from inside the abinit-6.2.3 directory):
{
./configure
make
sudo apt-get install abinit
}
I suspect the mistake is in one or more of the commands above, but I do not know enough to figuring it out. However it does look like the wrong version of Abinit is installed when giving the last command, and the following is what turns up in the command window:
{
~/abinit-6.2.3$ sudo apt-get install abinit
Reading package lists... Done
Building dependency tree
Reading state information... Done
The following NEW packages will be installed:
abinit
0 upgraded, 1 newly installed, 0 to remove and 396 not upgraded.
Need to get 0B/5,451kB of archives.
After this operation, 13.8MB of additional disk space will be used.
Selecting previously deselected package abinit.
(Reading database ... 319100 files and directories currently installed.)
Unpacking abinit (from .../abinit_5.3.4.dfsg-3build1_amd64.deb) ...
Processing triggers for man-db ...
Setting up abinit (5.3.4.dfsg-3build1) ...
}
As can be seen I do have the 6.2.3 version, but the system decides for some reason I do not know to set up the 5.3.4 version.
Bjørnar
Abinit on Fortran Intel Composer XE 2013 with MKL [SOLVED]
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.
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.
Re: Abinit on Fortran Intel Composer XE 2013 with MKL [SOLVED]
The command: installs Abinit from your Linux distributor's repository, which contains a very old version of Abinit.
In order to use your freshly compiled version, you have to type the following instead: or
I also suggest you to remove the outdated package, in order to avoid any possible conflict:
Code: Select all
sudo apt-get install abinit
In order to use your freshly compiled version, you have to type the following instead:
Code: Select all
make install
Code: Select all
sudo make install
I also suggest you to remove the outdated package, in order to avoid any possible conflict:
Code: Select all
sudo apt-get remove abinit
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain
Simune Atomistics
Donostia-San Sebastián, Spain
Re: Abinit on Fortran Intel Composer XE 2013 with MKL
Thanks Sir,
Everything seam to be in order now.
Kind regards
Bjørnar Karlsen
Everything seam to be in order now.
Kind regards
Bjørnar Karlsen