The ABINIT Users Mailing List ( CLOSED )

[Damien Caliste <damien.caliste@cea.fr>]

Hello,

Le 09/10/2009, bond james <champbond1983@gmail.com> a écrit :
> In each mail i have written my real name :):)..... Ok sir  i have
> compile V_sim in Linux also.
Indeed, I've never compiled ABINIT for Windows, and this step is
necessary to have V_Sim read ABINIT input files.

> But still the same problem is there.
> How to open Abinit file in linux.
To have V_Sim reading ABINIT input files, several steps must be done
(see the end of this mail for a quicker method) and depends of your
ABINIT and V_Sim version:
- V_Sim 3.4.x goes with ABINIT 5.7.x or lower. V_Sim 3.5.x (currently
under development but downloadable from the Internet) goes with ABINIT
5.8.x. By the way, one can compile a ABINIT 5.7.x just to compile then
the V_Sim plug-in and use a 5.8.x for production ab initio calculations.
- The following supposed a 3.4.4 and a 5.7.5, gfortran as Fortran
compiler.
- First configure ABINIT like that:
../configure --enable-bindings FCFLAGS="-fPIC -O2" FC=gfortran
- Then compile with make or make -jx... The compilation can be stopped
after 13iovars, but in that case, issue make also in src/libs.
- Then go to the bindings/parser directory and issue make.
- If you ls, you'll see:
  * libabinis.a
  * dtset_c.h
  * ab_dtset_c.h
- You need to copy them some where. Let's say in ${ABINIT}:
  * cp libabinis.a ${ABINIT}/lib
  * cp dtset_c.h ab_dtset_c.h ${ABINIT}/include
- Then go to V_Sim sources and configure it with the good options (see
message of Aurélien):
../configure --with-abinit=${ABINIT}
- issue make and then make install.

You should see the ABINIT plug-in loaded into V_Sim when clicking on
the V_Sim icon of the command panel (bottom right).



For the shorter way, possible if you use Ubuntu Hardy, go to the V_Sim
download page and download the Hardy pacage. It contains the ABINIT
plugin.

If once ABINIT properly enter Debian (...), the official Debian package
will have the plugin also. But not now.

Damien.