The ABINIT Users Mailing List ( CLOSED )

[Ravinder Abrol <rabrol@us.ibm.com>]

Hi,
You can also add some of your compiler
flags like bmaxdata and -qhot
to the FFLAGS and FFLAGS_LIBS lines
in the makefile_macros file I provided
in my first email.
Ravi

-----
Ravinder  Abrol,  Ph. D.
25-143, Department of Physical Sciences
IBM Thomas J. Watson Research Center
Yorktown Heights, NY 10598
Phone: 914-945-1617
Email: rabrol@us.ibm.com

Ravinder Abrol/Watson/IBM@IBMUS

04/16/2004 03:29 PM

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To	forum@abinit.org
cc
Subject	Re: [abinit-forum] Compilation problem : Abinit_4.2.4 (parallel use)

Hi, 
First of all you should be using the parallel makefile_macro, which will
call the mpxlf90 and mpcc parallel compilers instead of the serial ones
(xlf90 and cc). Second, I encountered the same error you got just a couple
of 
weeks ago. I had to make a small change in the parallel makefile_macro
provided with abinit. I have provided my fixed parallel makefile_macros
file below 
for IBM SP2 systems. 

You can copy it and link your makefile_macros file to it like it is done
for the serial 
version compilation. Then try to make abinip. 

Makefiles can be highly system dependent, so let me know if it doesn't
work 
for your system. Best of luck! 
Ravi


###################### Parallel makefile_macros for IBM SP2 #############
# 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 a SP2 machine, parallel version

# Explanations about this file can be found in the  makefile_macros_help
file, 
# in the Infos subdirectory 
####################################################################
# Note that the compiler are those for the parallel code.

# Machine type 
MACHINE=ibm 
# Fortran optimized compilation 
FC=mpxlf90_r 
FFLAGS=-O3 -qnolm -qarch=auto -qstrict -q64 
MAIN_ROUTINE_FFLAGS=-qcharlen=16000 
FFLAGS_LIBS=-O3 -qnolm -qarch=auto -qstrict -qfixed -q64
FLINK=-bloadmap:loadmap 
# C preprocessor, used to preprocess the fortran source.
CPP=/usr/lib/cpp 
CPP_FLAGS=-P -q64 
# C optimized compilation. 
CC=mpcc_r 
CFLAGS=-O 
# Location of perl . Used to generate the script fldiff, in ~ABINIT/Utilities
. 
PERL=/usr/local/gnu/bin/perl 
# Definition of libraries 
BLAS= 
LIBS= $(LAPACK) -lblas 

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

# Location of the MPI library 
# Location of directory with header files *.h for parallel version
# _BASE=/usr/local/mpich 
_BASE=/usr/lpp/ppe.poe 
FFLAGS_PAR=$(FFLAGS) 
####################################################################

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


-----
Ravinder  Abrol,  Ph. D.
25-143, Department of Physical Sciences
IBM Thomas J. Watson Research Center
Yorktown Heights, NY 10598
Phone: 914-945-1617
Email: rabrol@us.ibm.com

Ms Gargi Dutta <gdutta@jncasr.ac.in>

04/16/2004 12:57 PM

Please respond to
forum

To	forum@abinit.org
cc
Subject	[abinit-forum] Compilation problem : Abinit_4.2.4 (parallel use)

Hi,
    i am having the following problem while compiling vAbinit_4.2.4
for
parallel use. I have used  xlf90  compiler with the following
flags :
 -O3 -qarch=pwr3 -qstrict -bmaxdata:0x80000000 -qtune=pwr3 -qhot

 The error is in the program "defs_xderive.par.f" in the directory
/Src_8seqpar  in the line

            integer(MPI_OFFSET_KIND)  ::
offset,posit

     The following is the error :

xlf90 -O3 -qarch=pwr3 -qstrict -bmaxdata:0x80000000 -qtune=pwr3 -qhot  
-I
/usr/lpp/ppe.poe/include -c defs_xderive.par.f
"defs_xderive.par.f", line 168.12: 1516-050 (S) _expression_ or
initial
value must be evaluated at compile time.
"defs_xderive.par.f", line 195.12: 1516-050 (S) _expression_ or
initial
value must be evaluated at compile time.
"defs_xderive.par.f", line 222.12: 1516-050 (S) _expression_ or
initial
value must be evaluated at compile time.
"defs_xderive.par.f", line 250.12: 1516-050 (S) _expression_ or
initial
value must be evaluated at compile time.
"defs_xderive.par.f", line 282.12: 1516-050 (S) _expression_ or
initial
value must be evaluated at compile time.
"defs_xderive.par.f", line 299.12: 1516-050 (S) _expression_ or
initial
value must be evaluated at compile time.
"defs_xderive.par.f", line 313.12: 1516-050 (S) _expression_ or
initial
value must be evaluated at compile time.
"defs_xderive.par.f", line 341.12: 1516-050 (S) _expression_ or
initial
value must be evaluated at compile time.
"defs_xderive.par.f", line 355.12: 1516-050 (S) _expression_ or
initial
value must be evaluated at compile time.
** defs_xderive   === End of Compilation 1 ===
1501-511  Compilation failed for file defs_xderive.par.f.
make: 1254-004 The error code from the last command is 1.


Stop.
make: 1254-004 The error code from the last command is 2.


Stop.
make: 1254-004 The error code from the last command is 2.


 If anyone has come across such an error or can suggest a solution, please
let me know as soon as possible.

regards,
Gargi