Qbox List

Posted: **Sun May 03, 2015 7:09 am**

Qbox 1.60.9 can be built on CentOS 6.6 using the following steps:

1) Install the following packages (as root or using sudo) using "yum install"

Code: Select all

yum install xerces-c xerces-c-devel
yum install openmpi openmpi-devel
yum install lapack lapack-devel
yum install fftw fftw-devel
yum install scalapack-common scalapack-openmpi scalapack-openmpi-devel scalapack-openmpi-static
yum install libuuid libuuid-devel

2) Build Qbox using the following makefile (centos6.mk):

Code: Select all

#-------------------------------------------------------------------------------
#
# Copyright (c) 2008-2015 The Regents of the University of California
#
# This file is part of Qbox
#
# Qbox is distributed under the terms of the GNU General Public License
# as published by the Free Software Foundation, either version 2 of
# the License, or (at your option) any later version.
# See the file COPYING in the root directory of this distribution
# or <http://www.gnu.org/licenses/>.
#
#-------------------------------------------------------------------------------
#
#  centos6.mk
#
#-------------------------------------------------------------------------------
# Prerequisites: 
# On a Centos-6.6 system, install the following packages:
# yum install xerces-c xerces-c-devel
# yum install openmpi openmpi-devel
# yum install lapack lapack-devel
# yum install fftw fftw-devel
# yum install scalapack-common scalapack-openmpi \
#             scalapack-openmpi-devel scalapack-openmpi-static
# yum install libuuid libuuid-devel
#
#-------------------------------------------------------------------------------
 PLT=Linux_x8664
#-------------------------------------------------------------------------------

 PLTOBJECTS = readTSC.o
 SVN_VER :=$(shell svnversion -n)
 DFLAGS += -DSVN_VERSION='"$(SVN_VER)"'

 CXX=mpicxx
 LD=$(CXX)

 PLTFLAGS += -DIA32 -D_LARGEFILE_SOURCE \
             -D_FILE_OFFSET_BITS=64 -DUSE_MPI -DSCALAPACK -DADD_ \
             -DAPP_NO_THREADS -DXML_USE_NO_THREADS -DUSE_XERCES \
             -DXERCESC_3 -DMPICH_IGNORE_CXX_SEEK -DUSE_UUID

# FFT must be FFTW2, FFTW3, ESSL or NOLIB
 FFT=FFTW3

ifeq ($(FFT),FFTW2)
 PLTFLAGS += -DUSE_FFTW2
 PLTFLAGS += -DFFTWMEASURE
 FFTWDIR=$(HOME)/software/fftw/Linux_x8664/fftw-2.1.5/fftw
 FFTWINCLUDEDIR=$(FFTWDIR)
 FFTWLIBDIR=$(FFTWDIR)/.libs
 INCLUDE += -I$(FFTWINCLUDEDIR)
 LIBPATH += -L$(FFTWLIBDIR)
 LIBS += -lfftw
endif

ifeq ($(FFT),FFTW3)
 PLTFLAGS += -DUSE_FFTW3
 PLTFLAGS += -DFFTWMEASURE
#PLTFLAGS += -DFFTW_TRANSPOSE
 PLTFLAGS += -DFFTW3_2D
 FFTWDIR=$(HOME)/software/fftw/fftw-3.3.4
 FFTWINCLUDEDIR=$(FFTWDIR)/api
 FFTWLIBDIR=$(FFTWDIR)/.libs
 INCLUDE += -I$(FFTWINCLUDEDIR)
 LIBPATH += -L$(FFTWLIBDIR)
 LIBS += -lfftw3
endif

ifeq ($(FFT),ESSL)
$(error ESSL library not available)
endif

ifeq ($(FFT),NOLIB)
 PLTFLAGS += -DFFT_NOLIB
endif

 CXXFLAGS= -g -O3 -Wunused -D$(PLT) $(INCLUDE) $(PLTFLAGS) $(DFLAGS)
 LIBS += -lpthread -lxerces-c -lscalapack -llapack -lblas -luuid
 LDFLAGS = $(LIBPATH) $(LIBS)

#-------------------------------------------------------------------------------

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CentOS 6 build

CentOS 6 build