OpenMPI problems after compilation

wei flamefl... at
Sun Jul 3 22:51:24 CEST 2011

Dear cp2k developers and users,

I am trying to compile the most recent CP2K on our new cluster(LINUX,
CENTOS 5.6) with openmpi-1.4.3, ifort-12 and the mkl library inside
ifort-12 (no openMP).  There was no error during the compilation, but
very often the parallel jobs I submitted are killed by the mpi
software, while the job with 1 MPI core works fine.
MPI_ABORT was invoked on rank 3 in communicator MPI_COMM_WORLD with
errorcode 1.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
mpiexec has exited due to process rank 3 with PID 14821 on node
linuxbmc1218.rz.RWTH-Aachen.DE exiting without calling "finalize".
This may have caused other processes in the application to be
terminated by signals sent by mpiexec (as reported here).
Here is my ARCH file:
CC       = mpicc
CPP      =
FC       = mpif90
LD       = mpif90
AR       = ar -r
DFLAGS   = -D__INTEL -D__FFTSG -D__FFTW3 -D__parallel -D__BLACS -
INTEL_INC= /opt/intel/Compiler/12.0/3.174/rwthlnk/mkl/include
MKLPATH  = /opt/intel/Compiler/12.0/3.174/rwthlnk/mkl/lib/intel64

FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -I/home/wz160145/software/fftwmpi/
include -O2 -msse2 -heap-arrays 64 -funroll-loops -fpp -free

FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -I/home/wz160145/software/fftwmpi/
include -O1 -msse2 -heap-arrays 64 -fpp -free

LDFLAGS  = $(FCFLAGS) -I$(INTEL_INC) -I/home/wz160145/software/fftwmpi/

LIBS     = /home/wz160145/software/fftwmpi/lib/libfftw3.a      $
(MKLPATH)/libmkl_scalapack_lp64.a           $(MKLPATH)/
libmkl_solver_lp64_sequential.a           -Wl,--start-group           $
(MKLPATH)/libmkl_intel_lp64.a            $(MKLPATH)/
libmkl_sequential.a            $(MKLPATH)/libmkl_core.a            $
(MKLPATH)/libmkl_blacs_openmpi_lp64.a            -Wl,--end-group -

OBJECTS_ARCHITECTURE = machine_intel.o

graphcon.o: graphcon.F
        $(FC) -c $(FCFLAGS2) $<

The fftw3 library is compiled by myself under the same environment. Is
there any obvious error in my ARCH file?  Or it is just the problem of
their MPI software? Any help will be highly appreciated!  Thanks in

Best wishes,
PhD student, Institute for Theoretical Solid State Physics
RWTH Aachen University

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