The ABINIT Users Mailing List ( CLOSED )

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

Dear Zahra,

Let's try it from scratch ...

Locate you mpif90 compiler wrapper ; make sure that it is in your path -
let say that mpif90 is in /root_of_mpich2/bin/mpif90, export
PATH=/root_of_mpich2/bin:$PATH if it is not done already.
Check with a "mpif90 -show" that you are using a suitable backend
compiler - any reasonably recent ifort should work, gfortran >4.1 should
be OK
 Try to compile and run the following test program:

PROGRAM HelloWorld
include 'mpif.h'
 
call mpi_init(ierr)
call mpi_comm_size(MPI_COMM_WORLD,npes, ierr)
call mpi_comm_rank(MPI_COMM_WORLD,irank,ierr)
 
print*,'Hello World! I am ',irank,' of ',npes
 
call mpi_finalize(ierr)
 
END PROGRAM

Name the code mpi_hello.f90 Compile it with a "mpif90  mpi_hello.f90"
... should produce an a.out file. Run 4 instances of it with a "mpiexec
-np 4 ./a.out". You should receive a ...

 Hello World! I am            0  of            4
 Hello World! I am            2  of            4
 Hello World! I am            1  of            4
 Hello World! I am            3  of            4

If it works, go on with abinit; if it doesn't, try to fix it - there is
no logic to try to compile half a million lines of code if your
toolchain is broken.

Back to abinit ... untar the 5.8.4p version, go to abinit-5.8.4 source
tree directory, create a new build subdirectory - let's say tmp-build
and change to it.
From that build directory, invoke "../configure --disable-config-file
--enable-mpi --with-mpi-prefix=/root_dir_of_mpich2"
Check that configure goes up to the end, look at config.log. Do a
"make".  When the compilation is over, do a "ldd src/98_main/abinip" and
check that there are no unresolved libraries calls.

When you have the binary, send a message about how to test it.

Kind regards,

Alain



zahra hooshmand wrote:
> 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