The ABINIT Users Mailing List ( CLOSED )

[Alain Jacques <ajs.jacques@gmail.com>]

Zahra,

The build system can be misleading. So when abinip says

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=== 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

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