[Pw_forum] Installation issues in an Itanium system

ashima ashima at cat.hokudai.ac.jp
Fri Sep 3 02:30:37 CEST 2004


I have compiled  PWscf v.2.0.4 in HP zx6000(Itanium2 biprocesseor machine).
OS is Red Hat Enterprise Linux 3.
PWscf v.2.0.4 was compiled using Intel Fortran Compiler 8(i.e. ifort).
For comiler installation, 
I used l_fc_pc_8.0.046.tar.gz and l_fc_pc_8.0.046_pl048.1.tar .gz .
By all means, we should install the patch package, because 
l_fc_pc_8.0.046 without patch return error message to stop compile
process.

We should do './configure.old pc_ifc' and rewrite it .
I used the atlas/LAPACK and fftw3.0, 
but I succeeded in compilation with MKL too.

It is glad if my experience can give a help.

My 'make.sys' is following:
__________________________________________________________________

OSHOME=/home/ashima/CAL
#
# System-dependent Make definitions for Linux, Intel compiler
# Edit according to your needs
#
# Add -DADD_BLAS_ONE_UNDERSCORE to CPPFLAGS if your blas/lapack library
# names contain two underscores at the end

# Use precompiled fftw library (version <= 2.1.5, NOT v.3!)
#
# In this case, specify also  how to load the fftw library (FFTW_LIB)
# and the path to the fftw.h include file (FFTW_INC_DIR). Example:
#FFTW_LIB=-L/usr/local/src/fftw-2.1.5/fftw/.libs -lfftw
#FFTW_INC_DIR=/usr/local/src/fftw-2.1.5/fftw
#CPPFLAGS = -D__LINUX64 -D__INTEL -D__FFTW -I$(OSHOME)/include \
#  -I$(FFTW_INC_DIR)

# Use the local copy of fftw

CPPFLAGS = -D__LINUX64 -D__INTEL -D__FFTW -D__USE_INTERNAL_FFTW \
  -I$(OSHOME)/include -I./
#
#
# Fortran compiler
#
F90 = ifort
F77 = ifort
#
# Fortran compiler flags
#
# -Vaxlib         enables the use of portability libraries (getarg
#                 and maybe other library calls)
# -W0             disable warnings
# -O3             more aggressive optimization
# -tpp5           Pentium    optimization
# -tpp6           Pentium Pro, 2, 3  optimization
# -tpp7           Pentium 4  optimization
#
FFLAGS = -Vaxlib -O2
#
# Fortran90 compiler flags
#
F90FLAGS = $(FFLAGS) -fpp $(CPPFLAGS)
#
# Fortran77 compiler flags
#
F77FLAGS = $(FFLAGS)
F77FLAGS_NOOPT = -O0
#
# C compiler flags (for GNU C compiler)
#
CCFLAGS  = $(CPPFLAGS) -O3 -fomit-frame-pointer
#
# This is needed to tell the compiler where modules are
# use this for version < 7
# MODULEFLAG= -cl,./intel.pcl
# use this for version = 7
MODULEFLAG= -nomodule -I $(OSHOME)/Modules -I$(OSHOME)/PW -I$(OSHOME)/PH -I$(OSHOME)/PWC
OND -I$(OSHOME)/PP -I$(OSHOME)/PWNC -I$(OSHOME)/D3 -I$(OSHOME)/Gamma
#
# Loader:
#
# The following is for Intel MKL libraries v. 5.1 on Pentium-3
# Use libmkl_p3.a for Pentium-3 and Athlon CPUs
# Use libmkl_p4.a for Pentium-4 and Opteron CPUs
#
#LIBS= $(FFTW_LIB) /opt/intel/mkl/lib/32/libmkl_lapack.a \
#      /opt/intel/mkl/lib/32/libmkl_p3.a -lpthread
# For MKL v. 5.2 add "-lguide"
# For MKL v. 6 use
# LIBS= $(FFTW_LIB) -L/opt/intel/mkl/lib/32/ \
#        -lmkl_lapack -lmkl_ia32 -lguide -lpthread
#MYLIB=lapack_mkl
#
# The following is for Atlas optimized blas/lapack libraries
# You may not actually need -lcblas . See the manual for details
# on how to fix I/O incompatibility problems with ifc
#
LIBS = $(FFTW_LIB) -L/usr/local/lib/ \
    -llapack -lf77blas -lcblas -latlas
#
# The following is to use blas and lapack from the source code
#  MYLIB=blas_and_lapack
#
LD=$(F90)
LDFLAGS = $(OSHOME)/flib/ptools.a $(OSHOME)/flib/flib.a $(OSHOME)/clib/clib.a -Vaxlib $
(LIBS)

#
# ar:
#
AR = ar
ARFLAGS = ruv
____________________________________________________________________________


*/*/*/*/*/*/*/*/*/*/*/*/*/*/*/*/*/*/
 +---------------------------------+
| Hidenori Ashima               |
|                                   |
| Catalysis Research Center,        |
| Hokkaido University,              |
| e-mail : ashima at cat.hokudai.ac.jp |
 +---------------------------------+
*/*/*/*/*/*/*/*/*/*/*/*/*/*/*/*/*/*/




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