The ABINIT Users Mailing List ( CLOSED )

[dick@fhi-berlin.mpg.de]

Dear all,

I am also trying to get running parallel v4.5.4 on a 64-bit Opteron
(makefile_macros file is attached, system: SuSe Linux 9.3, Opteron 250,
PGI 6.0, MPICH 1.2.6, MPICH Device: ch_p4). Before proceeding to parallel
version i tried to compile serial one. It compiles nicely, but fails to
run: whatever input is it stops with "Segmentation fault" message. For
instance the output for Test 1 is:
***
Starting date : Thu 20 Oct 2005.

- input  file    -> test1.in
- output file    -> test1.outA
- root for input  files -> test1i
- root for output files -> test1o

 instrng :    38 lines of input have been read

 iofn2 : Please give name of formatted atomic psp file
 iofn2 : for atom type   1 , psp file is ../Psps_for_tests/01h.pspgth
  read the values zionpsp=  1.0 , pspcod=   2 , lmax=   0

 iofn2 : deduce mpsang  =   1, n1xccc  =   0.

 invars1m : enter jdtset=     0
Segmentation fault (core dumped)
***

The produced log-file is empty. I also tried to compile v4.4.4 and v4.6.4
- the symptoms are the same.

I would appreciate any advice how to overcome the problem.

With best regards,
Alexey
 --
_______________________________________________________________________________________

   Alexey Dick
   Max-Planck-Institut für Eisenforschung GmbH       tel:  +49 (0211)
6792-283
   Abteilung Computer-Gestütztes Material-Design     fax:  +49 (0211)
6792-465
   Max-Planck-Str. 1                                 mail: dick@mpie.de
   D-40237 Düsseldorf, Germany                       web: 
http://www.sfhingx.de/dick/
_______________________________________________________________________________________


> I am trying to install 4.5.3 on a 64-bit Opteron running Linux and am
> using the Portland Group Fortran compiler, v. 6.0. Abinit seems to install
> without errors but cannot complete Test 1. The error message is test1
> status: no such file or directory. Any guidance on troubleshooting or
> leads on a makefile_macros file that works for this configuration would be
> much appreciated.
>
> Thanks.
>
> Mark
> Mark T. Lusk
> Professor and Chair
> Mechanical Engineering Program
> Colorado School of Mines
> (303) 273-3675
> mlusk@mines.edu
>

# This file contains the definitions needed for every possible script
# to be used with the ABINIT makefiles.  It is very much machine-dependent.
# It is read by makemake and makearch.

# This version for dummy based on a Pentium IV, bi-procs
# Explanations about this file can be found in the  makefile_macros_help file,
# in the Infos subdirectory

####################################################################
# For the sequential version 

# Machine type
MACHINE=P6
# Fortran optimized compilation
FC=/opt/pgi/linux86-64/6.0/bin/pgf90 -tp=k8-64 -Bstatic
FFLAGS=-Mextend -Mfree -O2
FFLAGS_LIBS = -O2

# 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= $(LAPACK) $(BLAS) $(NETCDF)

NC_CC=cc
NC_FC=/opt/pgi/linux86-64/6.0/bin/pgf77
NC_F90=/opt/pgi/linux86-64/6.0/bin/pgf90
NC_CPPFLAGS=-DpgiFortran

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

# Compiler flags and definitions
FFLAGS_PAR= $(FFLAGS) -I /opt/mpich/ch-p4/include
# List of machine-dependent routines
MACHINE_DEP_C_PAR_SUBS_LIST=etime.par

# Location of the MPI library
MPI_A=/opt/mpich/ch-p4/lib64/libfmpich.a /opt/mpich/ch-p4/lib64/libmpich.a
# Include blas, lapack, and any other libraries here
 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 

####################################################################
# For integration of netcdf

# The following lines may be uncommented if the ./configure script for
# netcdf doesn't find the appropriate tools.
# The script Lib_netcdf/src/nc_configure will strip the NC_ prefix,
# set the appropriate environment variables
# and call the standard netcdf ./configure script
# Note that in this example, the CFLAGS is given to define the "compiler 
platform"
# as expected by netcdf (not always required, the compiler may define
# the adequate environment variable or configur may find it).
# For examples of environment variables used on different platforms see:
# http://www.unidata.ucar.edu/packages/netcdf/INSTALL.html

NC_FC=/opt/pgi/linux86/6.0/bin/pgf90
NC_F90=/opt/pgi/linux86/6.0/bin/pgf90
NC_CPPFLAGS='-DNDEBUG -DpgiFortran'
#NC_CC=
#NC_CFLAGS=
#NC_FFLAGS=
#NC_F90FLAGS=

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