repeated output entries

[Axel]

On Nov 18, 8:24 am, sersunzo <Pitago... at gmail.com> wrote:
> Teo,
>
> I'm not sure I understand. The following file (ARCH=Linux-x86-64-
> intel.popt) was used for compilation

alessio,

the executable you were using clearly was not
compiled with the MPI support or was compiled
for a different MPI library than what your mpirun
was taken from.

this is something that _you_ have to know about
(ask your sysadmins for help, if needed) and do right
and where we can provide very help since we don't
know what exactly is installed on your machine and
how you exactly compiled your executable.

you have to make sure that you use the cp2k.popt
executable and not the cp2k.sopt executable when
running with mpirun...

cheers,
    axel.
>
> CC       = mpicc
> CPP      =
> FC       = mpif90
> LD       = mpif90
> AR       = ar -r
> DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -
> D__FFTW3
> CPPFLAGS =
> FCFLAGS  = $(DFLAGS) -O3 -xW -funroll-loops -fpp -free
> LDFLAGS  = $(FCFLAGS)
> LIBS     = /share/apps/scalapack/libscalapack.a \
>             /share/apps/scalapack/blacs.a \
>             /share/apps/scalapack/blacsC.a \
>             /share/apps/scalapack/blacsF77.a \
>             /share/apps/scalapack/blacs.a \
>             /share/apps/scalapack/libreflapack.a \
>             /share/apps/acml4.1.0/ifort64/lib/libacml.a\
>             /share/apps/acml4.1.0/ifort64/lib/libacml_mv.a \
>             /usr/local/lib/libfftw3.a
>
> OBJECTS_ARCHITECTURE = machine_intel.o
>
> Is it not for .popt?
>
> Alessio
>