ABINIT Discussion Forums

Dear All,

I am trying to install abinit on Centos 5.5 machine.
I used:

source /usr/local/intel/current/bin/ifortvars.sh intel64
export FC=mpif90
export CC=mpicc
./configure --enable-mpi="yes" --enable-64bit-flags="yes"
make

I had this only Warning
configure: WARNING: MPI runner mpirun may be incompatible with MPI compilers

At the end ABINIT doesn't work in parallel mode, but it works in serial mode. All tests are OK in serial mode.
How can I do to install ABINIT in parallel mode??




.Version 6.4.3 of ABINIT
.(sequential version, prepared for a x86_64_linux_intel11.1 computer)


=== Build Information ===
Version : 6.4.3
Build target : x86_64_linux_intel11.1
Build date : 20110207

=== Compiler Suite ===
C compiler : intel11.1
CFLAGS : -g -O2 -vec-report0
C++ compiler : gnu4.1
CXXFLAGS : -m64 -g -O2
Fortran compiler : intel11.1
FCFLAGS : -g -extend-source -vec-report0 -noaltparam -nofpscomp
FC_LDFLAGS : -static-intel -static-libgcc

=== Optimizations ===
Debug level : basic
Optimization level : standard
Architecture : intel_core2

=== MPI ===
Parallel build : yes
Parallel I/O : yes

=== Linear algebra ===
Library flavor : @linalg_flavor@
Use ScaLAPACK : no

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

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

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Default optimizations:
-O3 -xHost


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
CPP options activated during the build:

CC_INTEL CXX_GNU FC_INTEL

HAVE_BIGDFT HAVE_ETSF_IO HAVE_FC_EXIT

HAVE_FC_ISO_C_BINDING HAVE_FC_NULL HAVE_LIBXC

HAVE_NETCDF HAVE_OS_LINUX HAVE_STDIO_H

HAVE_WANNIER90 USE_MACROAVE
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++





Thanks
Carmine

Hi,

source /usr/local/intel/current/bin/ifortvars.sh intel64
export FC=mpif90
export CC=mpicc
./configure --enable-mpi="yes" --enable-64bit-flags="yes"
make

where is the MPI distribution ?
what is the result of

if the first cmd gives a path ( /the/path ), use it in the cmd :



regards

jmb

Thank you for the reply.
I used the option

source /usr/local/intel/current/bin/ifortvars.sh intel64
./configure --enable-mpi="yes" --with-mpi-prefix="/usr/local/mpi/bin" --enable-64bit-flags="yes"

but I have a bigger problem, because I dont'have gcc 4.2. and I found the usual error that I saw in other post of this forum.
I used the option:

source /usr/local/intel/current/bin/ifortvars.sh intel64
export FC=mpif90
export CC=mpicc
./configure --enable-mpi="yes" --enable-64bit-flags="yes"
make

to avoid the problem of the lack of gcc 4.2.
How can I solve?

Thanks in advance
Carmine

The correct MPI option is:

You should indeed see in the output of configure that it is not able to find MPI.

Having a look at ~abinit/doc/config/build-config.ac would be a good idea too.

Thanks

Carmine