The ABINIT Users Mailing List ( CLOSED )

["Sergei Lisenkov" <proffess@yandex.ru>]

Dear Abinit authors and users,

I try to install ABINIt-4.2.4 on HP SuperDome (PA RISC 8600 processors, 550 
Mhz) using makefile named startdust:
===============
# 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 an HP 8600 at ETH Zurich, from Artem Oganov
# It does NOT use the libraries of the HP. It can use the full memory of the
# machine, thanks to the  -noshared link option.

# Explanations about this file can be found in the  help.makefile_macros file,
# in the Infos subdirectory

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

# Machine type
MACHINE=hp
# Fortran optimized compilation
FC=/opt/fortran90/bin/f90
FFLAGS= +source=free +DA2.0W +DS2.0W +O2 +Odataprefetch
FFLAGS_LIBS= +DA2.0W +DS2.0W +O2 +Odataprefetch
FLINK= +DA2.0W +DS2.0W  +O2 +Odataprefetch
# C preprocessor, used to preprocess the fortran source.
CPP=/usr/ccs/lbin/cpp
CPP_FLAGS= -P
# C optimized compilation.
CC=/opt/ansic/bin/cc +DA2.0W +DS2.0W
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=cclock_.o

LIBS= -L/opt/mlib/lib/pa20_64/ -llapack -lveclib -lpthread -lm
[proffess@beta Tutorial]$ cat ../makefile_macros
# 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 an HP 8600 at ETH Zurich, from Artem Oganov
# It does NOT use the libraries of the HP. It can use the full memory of the
# machine, thanks to the  -noshared link option.

# Explanations about this file can be found in the  help.makefile_macros file,
# in the Infos subdirectory

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

# Machine type
MACHINE=hp
# Fortran optimized compilation
FC=/opt/fortran90/bin/f90
FFLAGS= +source=free +DA2.0W +DS2.0W +O2 +Odataprefetch
FFLAGS_LIBS= +DA2.0W +DS2.0W +O2 +Odataprefetch
FLINK= +DA2.0W +DS2.0W  +O2 +Odataprefetch
# C preprocessor, used to preprocess the fortran source.
CPP=/usr/ccs/lbin/cpp
CPP_FLAGS= -P
# C optimized compilation.
CC=/opt/ansic/bin/cc +DA2.0W +DS2.0W
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=cclock_.o

LIBS= -L/opt/mlib/lib/pa20_64/ -llapack -lveclib -lpthread -lm
####################################################################
# For the parallel version

# Location of directory with header files *.h for parallel version
FFLAGS_PAR=$(FFLAGS) -I /opt/mpi/include
LIBS_PAR=$(LIBS) -Wl,-L/opt/mpi/lib/pa20_64 -lpmpi -lmpi  +O2
MACHINE_DEP_C_PAR_SUBS_LIST=cclock_.par

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

====================================================
I compiled ABINIT succesfully in paralel and serial mode. I try to run an 
example form Tutorial directory: t31.in file. But I got the next: 

(log file)
  ABINIT

  Give name for formatted input file:
t31.in
  Give name for formatted output file:
t3x.out
  Give root name for generic input files:
t3xi
  Give root name for generic output files:
t3xo
  Give root name for generic temporary files:
t3x

 isfile : WARNING -
  Finds that output file t3x.out
 already exists.
 new name assigned:t3x.outA


 Version 4.2.4  of ABINIT
 (sequential version, prepared for a hp computer)

 Copyright (C) 1998-2003 ABINIT group .
 ABINIT comes with ABSOLUTELY NO WARRANTY.
 It is free software, and you are welcome to redistribute it
 under certain conditions (GNU General Public License,
 see ~ABINIT/Infos/copyright or http://www.gnu.org/copyleft/gpl.txt).

 ABINIT is a project of the Universite Catholique de Louvain,
 Corning Inc. and other collaborators, see ~ABINIT/Infos/contributors.
 Please read ~ABINIT/Infos/acknowledgments.htm for suggested
 acknowledgments of the ABINIT effort.
 For more information, see http://www.abinit.org .

 Starting date : Wed 26 May 2004.

- input  file    -> t31.in
- output file    -> t3x.outA
- root for input  files -> t3xi
- root for output files -> t3xo

 instrng :    54 lines of input have been read

 iofn2 : deduce mpsang  =   1, n1xccc  =****.

 invars1m : enter jdtset=     0

 invars2: ERROR -
  The array znucl MUST be initialized in the input file, while this is not 
done.
  Action : initialize znucl in your input file.

 leave_new : decision taken to exit ...

I checked: the variable znucl is in the input file. I try to run another 
examples - it crash again with same error. On Linux cluster it works fine. 

What does it mean? I see there is "n1xccc  =****". What is exact problem? 
Compiler?

Thank you very much for your help,
 Best wishes,
  Sergey