The ABINIT Users Mailing List ( CLOSED )

[Latévi Max LAWSON DAKU <Max.Lawson@unige.ch>]

Hi,

I was unable to "correctly" use the precompiled ABINIP
binary.
Actually, in order to have ABINIP effectively works in
parallel, I had to compile it for the target machine.

The attached files are the makefile_macros' files I used.
The IFORT-compiled execs work fine; as for the PGI-compiled
execs, I haven't tested them yet.


All the best,
Max

-- 
***********************************************
Latevi Max LAWSON DAKU
Departement de chimie physique 
Universite de Geneve - Sciences II
30, quai Ernest-Ansermet  
CH-1211 Geneve 4 
Switzerland 

Tel: (41) 22/379 6548 ++ Fax: (41) 22/379 6103
***********************************************


# 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.

# Used to build and install ABINIT v4.6.5 on a cluster 
# (node = 2*Xeon 2.8GHz, 2Gb RAM, connexion myrinet); 
# with the environment: (IFORT v9.0), MPICH (v1.2.6)


# In this file, the blas library is linked in the same way as the other
# libraries (lapack, ffts, numrecip).

# 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=/home/lawson/intel/fc/9.0/bin/ifort
FFLAGS = -O3 -w -tpp7 -axW -static-libcxa 
FFLAGS_LIBS= -O3 -w -static-libcxa  

LIBS=$(LAPACK) $(BLAS) -L/home/lawson/intel/fc/9.0/lib -lsvml -lcxa 
-static-libcxa -lunwind 

# C preprocessor, used to preprocess the fortran source.
CPP=/lib/cpp
CPP_FLAGS=-P -traditional -D__IFC
# The cpp directive CHGSTDIO changes the standard I/O definition
# Uncomment the next line for this to happen.
#CPP_FLAGS=-P -DCHGSTDIO 

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

# 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

####################################################################
# For the parallel version : MPICH / MYRINET

# Compiler flags and definitions
FFLAGS_PAR= $(FFLAGS) -I /opt/mpich-1.2.6..13b-intel32/include

# List of machine-dependent routines
MACHINE_DEP_C_PAR_SUBS_LIST=etime.par

# Location of the MPI library
MPI_A=/opt/mpich-1.2.6..13b-intel32/lib/libmpich.a 
/opt/mpich-1.2.6..13b-intel32/lib/libfmpich.a -Vaxlib /opt/gm/lib/libgm.a
# Include blas, lapack, and any other libraries here
 LIBS_PAR=$(LIBS) $(MPI_A)

# This is a last line in 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.

# Used to build and install ABINIT v4.6.5 on a cluster 
# (node = 2*Xeon 2.8GHz, 2Gb RAM, connexion myrinet); 
# with the environment: (PGI 6.0), MPICH (v1.2.6)

# Based on Portland Compiler, and MPICH library for MPI parallelism.
# See additional explanations at the end of this file.

# 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 PGI/MPICH
FC=/unige/pgi/linux86/6.0/bin/pgf90
FFLAGS=-Mextend -Mfree -O2 -Bstatic
FFLAGS_LIBS= -O2 -Bstatic
# C preprocessor, used to preprocess the fortran source.
CPP=/lib/cpp
CPP_FLAGS=-P -traditional
# C optimized compilation.
CC=gcc
CFLAGS=-O -static
# 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

NC_CC=cc
NC_FC=pgf77
NC_F90=pgf90
NC_CPPFLAGS=-DpgiFortran

####################################################################
# For the parallel version : MPICH / MYRINET

# Compiler flags and definitions
FFLAGS_PAR= $(FFLAGS) -I /opt/mpich-1.2.6..13b-intel32/include

# List of machine-dependent routines
MACHINE_DEP_C_PAR_SUBS_LIST=etime.par

# Location of the MPI library
MPI_A=/opt/mpich-1.2.6..13b-intel32/lib/libmpich.a 
/opt/mpich-1.2.6..13b-intel32/lib/libfmpich.a /opt/gm/lib/libgm.a
# Include blas, lapack, and any other libraries here
 LIBS_PAR=$(LIBS) $(MPI_A)