ABINIT Discussion Forums

Dear Abinitiers,

I used to run Abinit 5.8.4 with OpenMPI 1.4.1 in a Fedora 12 - 32 bits machine.
I have moved to the Abinit 6.0.2 version but now in a Fedora 12 -64 bits machine
Without openMPI there is no problem (serial version),
but i can not link to the openMPI code.
I got the following error after I type in the command line: sudo make multi multi_nprocs=2

base.f90:26: Error: Can't open included file 'mpif.h'
base.f90:27.53:

integer, parameter :: mpidtypw=MPI_DOUBLE_PRECISION,mpidtypd=MPI_DOUBLE_PRECI
1
Error: El símbolo 'mpi_double_precision' en (1) no tiene tipo IMPLICIT
base.f90:28.53:

integer, parameter :: mpidtypg=MPI_DOUBLE_PRECISION
1
Error: El símbolo 'mpi_double_precision' en (1) no tiene tipo IMPLICIT
make[7]: *** [base.o] Error 1
make[7]: se sale del directorio `/opt/abinit-6.0.2/plugins/bigdft/bigdft-1.2.0.2/src/modules'
make[6]: *** [all-recursive] Error 1
make[6]: se sale del directorio `/opt/abinit-6.0.2/plugins/bigdft/bigdft-1.2.0.2/src'
make[5]: *** [all-recursive] Error 1
make[5]: se sale del directorio `/opt/abinit-6.0.2/plugins/bigdft/bigdft-1.2.0.2'
make[4]: *** [all] Error 2
make[4]: se sale del directorio `/opt/abinit-6.0.2/plugins/bigdft/bigdft-1.2.0.2'
make[3]: *** [build-stamp] Error 2
make[3]: se sale del directorio `/opt/abinit-6.0.2/plugins/bigdft'
make[2]: *** [package-ready] Error 2
make[2]: se sale del directorio `/opt/abinit-6.0.2/plugins/bigdft'
make[1]: *** [all-recursive] Error 1
make[1]: se sale del directorio `/opt/abinit-6.0.2/plugins'
make: *** [multi] Error 2

I supossed that the mpif.h is not found or have other name in the code or ...??
But before I made a possible mistake changing the code, I ask you for help.
Any suggestion?

Thanks in advanced

Keitel

You need to install openmpi yourself in some cases: the default rpm will not contain fortran support (mpif.h, the module files, and a functional mpif90 compiler). Do check the installed files in your case though: if they are present you simply need to tell abinit where they are using --with-mpi-prefix



Matthieu

Dear Matthieu,

I have the following compilers from openmpi 1.4.1 in the /usr/local/bin dir
mpic++ mpiCC mpiCC-vt mpicxx mpiexec mpif77-vt mpif90-vt
mpicc mpicc-vt mpic++-vt mpicxx-vt mpif77 mpif90 mpirun

Also I have run a hello world example from:
http://www.open-mpi.org/papers/workshop ... isites.php
and the installation seems to be OK.

In my previous post I have used:
sudo ./configure --enable-libxc="yes" --enable-mpi="yes" --with-mpi-includes="-I/usr/local/include" --with-mpi-runner="/usr/local/bin/mpiexec"
make multi multi_nprocs=2

And today, with your advice, I have run the following commands:

./configure --enable-libxc="yes" --enable-mpi="yes" --with-mpi-prefix="/usr/local/bin"
Is that correct?

Because abinit does not found the mpi binaries.
In the .log, it says something that mpi was not found in "/usr/local/bin"
and it asks me to check. Then the program configures abinit without openmpi.
Sorry, I do not have the .log output.
There is an electricity problem in my lab and I won't be there until Monday.

I am inclined to believed that this is something with the flags for 64 bits.

Best Regards

Keitel


Note:
I could say that the configure script allowed me to use or
--with-mpi-includes="-I/usr/local/include" --with-mpi-runner="/usr/local/bin/mpiexec"
or
--with-mpi-prefix="/usr/local/bin"
Only one, because one involved the other.

prefix should point to the /usr/local directory. Inside there abinit looks for bin/ include/ etc...

Matthieu