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Re: Re: [abinit-forum] problem about compiling the atompaw package


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  • From: zfhou@mail.edu.cn
  • To: forum@abinit.org
  • Subject: Re: Re: [abinit-forum] problem about compiling the atompaw package
  • Date: Sun, 25 Jul 2004 03:49:04 +0200

how to complie atompaw code using pgf90 with lapack3 on Redhat 9.0

for versions: 072204atompaw.tar.gz, 071304atompaw.tar.gz, 050704atompaw.tar.gz

1. complie lapack.tgz (3.0 version)
tar xzvf lapack.tgz
edit make.inc
-----------------------------
PLAT =
#
# Modify the FORTRAN and OPTS definitions to refer to the
# compiler and desired compiler options for your machine. NOOPT
# refers to the compiler options desired when NO OPTIMIZATION is
# selected. Define LOADER and LOADOPTS to refer to the loader and
# desired load options for your machine.
#
FORTRAN = pgf77
OPTS = -c -O
DRVOPTS = $(OPTS)
NOOPT = -c
LOADER = pgf77
#LOADOPTS = -mt
LOADOPTS = -c -O
:
:
BLASLIB = libblas.a
#BLASLIB = -xlic_lib=sunperf_mt
#BLASLIB = -xlic_lib=sunperf
LAPACKLIB = liblapack.a
-----------------------------
cd SRC

make

2. complie blas
cd BLAS/SRC

make


3. complie atompaw
I assume that the atompawcode was placed in the directory
'/home/xxxx/atompawcode/', in which 'xxxx' is your username.
Then create a directory named 'lib' in 'home/xxxx/atompawcode',
get the libblas.a liblapack.a from the previous two steps, and place these
files(libblas.a and liblapack.a) to the directory 'lib'.

edit make.inc
--------------------
# lapack and blas libraries
LIBS = -L./lib -llapack -lblas
#LIBS = -L../lib -llapack -lblas -lf77blas -latlas

# Fortran90 compiler
F90 = pgf90

# compile flags
F90FLAGS = -Mfree -O2 -tp p6

#F90FLAGS = -Mfree -Mx,119,0x200000 -O2 -tp p6

#load flags
#LDFLAGS = $(F90FLAGS)
LDFLAGS =

--------------------------
for the version: 050704atompaw.tar.gz
make -f Makeforlinux atompaw

for the version: 072204atompaw.tar.gz and 071304atompaw.tar.gz
make

*************************************************
Zhu-feng hou
P.O.Box1169#
Physics Department
Xiamen University
Xiamen,361005
P.R.China
Tel:+86-592-2194744
E-mail:houzf@yanan.xmu.edu.cn
**************************************************



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