The ABINIT Users Mailing List ( CLOSED )

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

Dear Alian
Itry it on two cluster with 2 different Linux(scientific Linux, Ubuntu) in both of them, i had errors as:
error[1], error[2]
finally I find following commands and it make me mentioned Abinip file:
./configure --enable mpi=yes
sudo make all install

As I said this didn't work! the MPI on both systems are: MPICH2, the compilers are:
ifort in one case, and Gcc in another.
By the way, doaes abinit have any restart option just from where the running was stopped. for example in GW calculations, in screening file calculation?

Best Regards
Zahra

On Tue, Dec 1, 2009 at 1:30 PM, Alain Jacques <ajs.jacques@gmail.com> wrote:

Zahra,

The build system can be misleading. So when abinip says

...

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

...

it means that abinip is not a parallel code. To check this further you can invoke a "ldd abinip" - assuming you work under Linux; the output should contain mentions to MPI dynamic libraries.
If it doesn't you have to specify where your MPI compiler resides during the configure step.

So,
1- find out what kind of MPI implementation you have and where it is on your system.
2- prepare your system to use MPI, for example on Linux, by adding the directories where your mpif90 and libraries are to PATH and LD_LIBRARY_PATH. It means that you should be able to invoke the mpi fortran compiler with a plain mpif90 some_fortran_test.f90 and produce a runnable binary.
3- rebuild abinit by configuring it with a "configure --enable-mpi --with-mpi-prefix=path_to_your_mpi_implementation and then a make
4- when you have a working abinip, you have to run the code with a MPI launcher - for example with openMPI, mpirun -np 4 abinip <param.files >log where np is the number of parallel processes. and LD_LIBRARY_PATH should be properly set.

If you want further explanations, please give us details about your operating system, compiler, MPI, ...

Kind regards,

Alain

...

-- 
Regards
Zahra Hooshmand