The ABINIT Users Mailing List ( CLOSED )

[mmgarcia@macbeth.if.usp.br]

Hi everybody.

  Does anyone runs abinip in a Cray XD-1? Abinip just start and then dies, 
with
the following message in the log file:
   Segmentation fault
   Segmentation fault
   Segmentation fault
   Segmentation fault
one line for each processor. The command line is:
   %cd /scratch/p00046
   %time mpirun -np ${NSLOTS} -hostfile ${TMPDIR}/machines ./abinip <
   diamond.files > log
(I supposed that Abinip is a stand alone application, so I copied it to
/scratch)

  My makefile_macros is (XD-1 uses Opteron proc, the compiler is PGI-6.0 with
acml 2.6 and mpich):
####################################################################
# For the sequential version

# Machine type
MACHINE=P6
# Fortran optimized compilation
FC=mpif90 -tp=k8-64 -Bstatic
FFLAGS=-Mextend -Mfree -O0
FFLAGS_LIBS = -O0

# C preprocessor, used to preprocess the fortran source.
CPP=/lib/cpp
CPP_FLAGS=-P -traditional -DCONTRACT

# C optimized compilation.
CC=cc
CFLAGS=-O

# Location of perl . Used to generate the script fldiff, in ~ABINIT/Utilities 
.
PERL=/usr/bin/perl

# List of machine-dependent routines
MACHINE_DEP_C_SEQ_SUBS_LIST=etime.o

# Use the ABINIT default libraries.
# For dynamical link, uncomment this line
LIBS=-lacml

####################################################################
# For the parallel version

# Compiler flags and definitions
#FFLAGS_PAR= $(FFLAGS) -I /usr/mpich/mpich-1.2.6-pgi524/include
# List of machine-dependent routines
MACHINE_DEP_C_PAR_SUBS_LIST=etime.par

# Location of the MPI library
#MPI_A=/usr/local/mpi-pgi/lib/libfmpich.a /usr/local/mpi-pgi/lib/libmpich.a
#MPI_A=-lfmpich -lmpich
# Include blas, lapack, and any other libraries here
# /opt/benchmark/acml/2.6.0/pgi64_mp/lib
 LIBS_PAR=$(LIBS) $(MPI_A)

# Command for automatic tests in parallel (optional)
# COMMAND_PAR= /usr/local/mpi-pgi/bin/mpirun -np 2 -machinefile
dummy.pcpm.ucl.ac.be:2 ../../abinip

# This is a last line in makefile_macros ----------

=================

Thanks for your attention

Marcelo M. Garcia