The ABINIT Users Mailing List ( CLOSED )

[zahra hooshmand <z.hooshmand@gmail.com>]

Hi,
Thank you so much, indeed I installed ie, but I have problem,
there are some mesasges like these:

=== Build Information === 
  Version       : 5.8.4
  Build target  : i686_linux_gnu4.2
  Build date    : 20091125

 === Compiler Suite === 
  C compiler       : gnu4.2
  CFLAGS           :  -g -O2 -fforce-addr -march=pentium4 -mmmx -msse -msse2
  C++ compiler     : gnu4.2
  CXXFLAGS         :  -g -O2 -fforce-addr -march=pentium4 -mmmx -msse -msse2
  Fortran compiler : gnu4.2
  FCFLAGS          :  -g  -ffree-line-length-none
  FC_LDFLAGS       : 

 === Optimizations === 
  Debug level        : symbols
  Optimization level : standard
  Architecture       : intel_pentium4

 === MPI === 
  Parallel build : no
  Parallel I/O   : no
  MPI CPPFLAGS   : 

 === Linear algebra === 
  Library type  : abinit
  Use ScaLAPACK : no

 === Plug-ins === 
  BigDFT    : yes
  ETSF I/O  : yes
  LibXC     : yes
  FoX       : no
  NetCDF    : yes
  Wannier90 : yes
  XMLF90    : no

 === Experimental features === 
  Bindings            : no
  Error handlers      : no
  Exports             : no
  GW double-precision : no
  Macroave build      : yes

I dont know why I have gotthese problems, But Abinip is already in main folder.
when I am starting running parallel Ialso try with doing as follows:
./abinip
name for formatted input and output files,....
then it gives sth like this:
synchrinization ........
STOP Abinit

Pleasehelp me know what should I exsactly do to run my parallel job!

Again:Thank you!

On Tue, Dec 1, 2009 at 11:40 AM, Anglade Pierre-Matthieu <anglade@gmail.com> wrote:

Hi,

Your question looks sibyllin so I apologize in advance if my answer is
completely out of your matters.
Abinit is parallelized using mpi. In order to run a parallel
computation, you usually have to :
1) compile abinit with mpi support;
2)(sometimes) set up approriately your input;
3) run the compilation using the appropriate mpi scripts (comming with
your mpi installation) together with abinit.
From you question I guess that you may be missing step 1 and 3. To
compile abinit with mpi support, have a look at the output of
"configure --help" in your abinit sources root directory. And for step
3 you may want to try a tutorial on running mpi calculations; those
can be found on the websites of mpi implementations like openmpi or
mpich. Basically, running a parallel calculation can be as simple as
issuing the command :
mpirun -np 1024 abinit < input.files > log. But depending on your
computers setup it can be a little bit more tricky.

regards

PMA

On Sat, Nov 28, 2009 at 10:46 AM, zahra hooshmand <z.hooshmand@gmail.com> wrote:
> Dear All,
> for GW parallel calculations is it enough to put parallelism variables in
> the input file and identify the number of processors?
> Please let me know if you you have information about GW calculations
> parallelism!
>
> --
> Regards
> Zahra Hooshmand
>

--
Pierre-Matthieu Anglade

-- 
Regards
Zahra Hooshmand