Commit 69269823 by Francois Gygi

cleaned up makefiles


git-svn-id: http://qboxcode.org/svn/qb/trunk@631 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 089027c3
#------------------------------------------------------------------------------- #-------------------------------------------------------------------------------
# $Id: Makefile,v 1.54 2008-04-15 01:37:09 fgygi Exp $ # $Id: Makefile,v 1.55 2008-06-18 03:39:53 fgygi Exp $
#------------------------------------------------------------------------------ #------------------------------------------------------------------------------
# #
include $(TARGET).mk include $(TARGET).mk
...@@ -317,6 +317,10 @@ EnergyFunctional.o: FourierTransform.h XCPotential.h LDAFunctional.h ...@@ -317,6 +317,10 @@ EnergyFunctional.o: FourierTransform.h XCPotential.h LDAFunctional.h
EnergyFunctional.o: XCFunctional.h PBEFunctional.h BLYPFunctional.h EnergyFunctional.o: XCFunctional.h PBEFunctional.h BLYPFunctional.h
EnergyFunctional.o: NonLocalPotential.h ConfinementPotential.h blas.h EnergyFunctional.o: NonLocalPotential.h ConfinementPotential.h blas.h
EnergyFunctional.o: ChargeDensity.h Timer.h Context.h StructureFactor.h EnergyFunctional.o: ChargeDensity.h Timer.h Context.h StructureFactor.h
ExchangeOperator.o: ExchangeOperator.h Sample.h AtomSet.h Context.h Atom.h
ExchangeOperator.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
ExchangeOperator.o: SharedFilePtr.h Control.h SlaterDet.h Basis.h Matrix.h
ExchangeOperator.o: Timer.h FourierTransform.h
ExtStress.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h ExtStress.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
ExtStress.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h ExtStress.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h
FermiTemp.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h FermiTemp.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
...@@ -336,6 +340,7 @@ IonicStepper.o: Species.h ...@@ -336,6 +340,7 @@ IonicStepper.o: Species.h
isodate.o: isodate.h isodate.o: isodate.h
jacobi.o: Context.h Matrix.h blas.h jacobi.o: Context.h Matrix.h blas.h
jade.o: Context.h Matrix.h blas.h Timer.h jade.o: Context.h Matrix.h blas.h Timer.h
kpgen.o: D3vector.h UnitCell.h
KpointCmd.o: UserInterface.h D3vector.h Sample.h AtomSet.h Context.h Atom.h KpointCmd.o: UserInterface.h D3vector.h Sample.h AtomSet.h Context.h Atom.h
KpointCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h SharedFilePtr.h KpointCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h SharedFilePtr.h
KpointCmd.o: Control.h KpointCmd.o: Control.h
...@@ -372,8 +377,7 @@ MDWavefunctionStepper.o: Matrix.h Sample.h AtomSet.h Atom.h ConstraintSet.h ...@@ -372,8 +377,7 @@ MDWavefunctionStepper.o: Matrix.h Sample.h AtomSet.h Atom.h ConstraintSet.h
MDWavefunctionStepper.o: Control.h MDWavefunctionStepper.o: Control.h
MDWavefunctionStepper.o: WavefunctionStepper.h Timer.h MDWavefunctionStepper.o: WavefunctionStepper.h Timer.h
MLWFTransform.o: MLWFTransform.h D3vector.h BasisMapping.h Basis.h UnitCell.h MLWFTransform.o: MLWFTransform.h D3vector.h BasisMapping.h Basis.h UnitCell.h
MLWFTransform.o: Context.h SlaterDet.h Matrix.h Timer.h SharedFilePtr.h MLWFTransform.o: Context.h SlaterDet.h Matrix.h Timer.h jade.h blas.h
MLWFTransform.o: jade.h blas.h
MLWFTransform.o: D3vector.h BasisMapping.h MLWFTransform.o: D3vector.h BasisMapping.h
MoveCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h MoveCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
MoveCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h SharedFilePtr.h MoveCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h SharedFilePtr.h
...@@ -384,9 +388,9 @@ NetCharge.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h ...@@ -384,9 +388,9 @@ NetCharge.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
NetCharge.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h NetCharge.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h
NonLocalPotential.o: NonLocalPotential.h AtomSet.h Context.h Atom.h NonLocalPotential.o: NonLocalPotential.h AtomSet.h Context.h Atom.h
NonLocalPotential.o: D3vector.h UnitCell.h Basis.h SlaterDet.h Matrix.h NonLocalPotential.o: D3vector.h UnitCell.h Basis.h SlaterDet.h Matrix.h
NonLocalPotential.o: Timer.h SharedFilePtr.h Species.h blas.h NonLocalPotential.o: Timer.h Species.h blas.h
NonLocalPotential.o: AtomSet.h Context.h Atom.h D3vector.h UnitCell.h Basis.h NonLocalPotential.o: AtomSet.h Context.h Atom.h D3vector.h UnitCell.h Basis.h
NonLocalPotential.o: SlaterDet.h Matrix.h Timer.h SharedFilePtr.h NonLocalPotential.o: SlaterDet.h Matrix.h Timer.h
Nrowmax.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h Nrowmax.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
Nrowmax.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h Nrowmax.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h
PBEFunctional.o: PBEFunctional.h XCFunctional.h PBEFunctional.o: PBEFunctional.h XCFunctional.h
...@@ -495,10 +499,9 @@ SetCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h ...@@ -495,10 +499,9 @@ SetCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
SetCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h SetCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h
sinft.o: sinft.h sinft.o: sinft.h
SlaterDet.o: SlaterDet.h Context.h Basis.h D3vector.h UnitCell.h Matrix.h SlaterDet.o: SlaterDet.h Context.h Basis.h D3vector.h UnitCell.h Matrix.h
SlaterDet.o: Timer.h SharedFilePtr.h FourierTransform.h blas.h SlaterDet.o: Timer.h FourierTransform.h blas.h Base64Transcoder.h
SlaterDet.o: Base64Transcoder.h
SlaterDet.o: Context.h Basis.h D3vector.h UnitCell.h Matrix.h Timer.h
SlaterDet.o: SharedFilePtr.h SlaterDet.o: SharedFilePtr.h
SlaterDet.o: Context.h Basis.h D3vector.h UnitCell.h Matrix.h Timer.h
Species.o: Species.h Context.h spline.h sinft.h Species.o: Species.h Context.h spline.h sinft.h
SpeciesCmd.o: SpeciesCmd.h UserInterface.h Sample.h AtomSet.h Context.h SpeciesCmd.o: SpeciesCmd.h UserInterface.h Sample.h AtomSet.h Context.h
SpeciesCmd.o: Atom.h D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h SpeciesCmd.o: Atom.h D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
...@@ -526,6 +529,9 @@ testBasisMapping.o: Timer.h ...@@ -526,6 +529,9 @@ testBasisMapping.o: Timer.h
testChargeDensity.o: Context.h Wavefunction.h D3vector.h UnitCell.h testChargeDensity.o: Context.h Wavefunction.h D3vector.h UnitCell.h
testChargeDensity.o: SharedFilePtr.h ChargeDensity.h Timer.h SlaterDet.h testChargeDensity.o: SharedFilePtr.h ChargeDensity.h Timer.h SlaterDet.h
testChargeDensity.o: Basis.h Matrix.h FourierTransform.h testChargeDensity.o: Basis.h Matrix.h FourierTransform.h
TestCmd.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
TestCmd.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h
TestCmd.o: ExchangeOperator.h
testContext.o: Context.h testContext.o: Context.h
testEnergyFunctional.o: Context.h Sample.h AtomSet.h Atom.h D3vector.h testEnergyFunctional.o: Context.h Sample.h AtomSet.h Atom.h D3vector.h
testEnergyFunctional.o: UnitCell.h ConstraintSet.h Wavefunction.h testEnergyFunctional.o: UnitCell.h ConstraintSet.h Wavefunction.h
...@@ -550,11 +556,11 @@ testreadSample.o: Context.h Sample.h AtomSet.h Atom.h D3vector.h UnitCell.h ...@@ -550,11 +556,11 @@ testreadSample.o: Context.h Sample.h AtomSet.h Atom.h D3vector.h UnitCell.h
testreadSample.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h testreadSample.o: ConstraintSet.h Wavefunction.h SharedFilePtr.h Control.h
testreadSample.o: SampleReader.h testreadSample.o: SampleReader.h
testSample.o: Context.h SlaterDet.h Basis.h D3vector.h UnitCell.h Matrix.h testSample.o: Context.h SlaterDet.h Basis.h D3vector.h UnitCell.h Matrix.h
testSample.o: Timer.h SharedFilePtr.h Sample.h AtomSet.h Atom.h testSample.o: Timer.h Sample.h AtomSet.h Atom.h ConstraintSet.h
testSample.o: ConstraintSet.h Wavefunction.h Control.h testSample.o: Wavefunction.h SharedFilePtr.h Control.h
test_sinft.o: sinft.h readTSC.h test_sinft.o: sinft.h readTSC.h
testSlaterDet.o: Context.h SlaterDet.h Basis.h D3vector.h UnitCell.h Matrix.h testSlaterDet.o: Context.h SlaterDet.h Basis.h D3vector.h UnitCell.h Matrix.h
testSlaterDet.o: Timer.h SharedFilePtr.h FourierTransform.h testSlaterDet.o: Timer.h FourierTransform.h
testSpecies.o: Species.h Context.h SpeciesReader.h testSpecies.o: Species.h Context.h SpeciesReader.h
test_spline.o: spline.h test_spline.o: spline.h
testStepper.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h testStepper.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
......
#------------------------------------------------------------------------------- #-------------------------------------------------------------------------------
# #
# Copyright (c) 2008 The Regents of the University of California
#
# This file is distributed under the terms of the GNU General Public
# License. See the file COPYING in the root directory of this distribution
# or http://www.gnu.org/licenses
#
#-------------------------------------------------------------------------------
#
# aix_mpi.mk # aix_mpi.mk
# #
#------------------------------------------------------------------------------- #-------------------------------------------------------------------------------
# $Id: aix_mpi.mk,v 1.14 2007-10-19 16:24:05 fgygi Exp $ # $Id: aix_mpi.mk,v 1.15 2008-06-18 03:39:53 fgygi Exp $
PLT=AIX PLT=AIX
#------------------------------------------------------------------------------- #-------------------------------------------------------------------------------
XERCESCDIR=${HOME}/software/xml/xerces-c-${PLT} XERCESCDIR=${HOME}/qb/software/xerces/xerces-c-src_2_7_0
XERCESCLIBDIR=/usr/apps/qbox/lib XERCESCLIBDIR=$(XERCESCDIR)/lib
FFTWDIR=$(HOME)/qb/software/fftw/fftw-2.1.5/fftw
FFTWLIBDIR=$(FFTWDIR)/.libs
FFTWINCLUDEDIR=$(FFTWDIR)
CXX=newmpxlC CXX=mpCC
LD=$(CXX) LD=$(CXX)
#PLTFLAGS += -DUSE_ESSL -D_LARGE_FILES -DUSE_XERCES PLTFLAGS += -DUSE_FFTW -DUSE_CSTDIO_LFS -DUSE_XERCES -DPLT_BIG_ENDIAN
PLTFLAGS += -DUSE_ESSL -DUSE_CSTDIO_LFS -DUSE_XERCES -DPLT_BIG_ENDIAN INCLUDE = -I$(XERCESCDIR)/include -I$(FFTWINCLUDEDIR)
INCLUDE = -I$(XERCESCDIR)/include
CXXFLAGS= -O2 -qmaxmem=-1 -DUSE_MPI -DSCALAPACK -D$(PLT) $(INCLUDE) \ CXXFLAGS= -O2 -qmaxmem=-1 -DUSE_MPI -DSCALAPACK -D$(PLT) $(INCLUDE) \
$(DFLAGS) $(PLTFLAGS) $(DFLAGS) $(PLTFLAGS)
#CXXFLAGS= -g -qmaxmem=-1 -DUSE_MPI -DSCALAPACK -D$(PLT) $(INCLUDE) $(DFLAGS) \
$(DFLAGS) $(PLTFLAGS)
LIBPATH = -L $(XERCESCLIBDIR) LIBPATH = -L$(XERCESCLIBDIR) -L/usr/local/apps/scalapack -L$(FFTWLIBDIR)
PLIBS = $(SCALAPACKLIB) $(PBLASLIB) $(TOOLSLIB) $(REDISTLIB) $(CBLACSLIB) PLIBS = $(SCALAPACKLIB) $(BLACSLIB)
LIBS = $(PLIBS) -lessl -lm -lmassv -lxlf90_r $(XERCESCLIBDIR)/libxerces-c.so LIBS = $(PLIBS) -lessl -lm -lmassv -lxlf90_r -lfftw \
$(XERCESCLIBDIR)/libxerces-c.a
LDFLAGS = -bmaxdata:0x80000000 $(LIBPATH) $(LIBS) LDFLAGS = -bmaxdata:0x80000000 $(LIBPATH) $(LIBS)
# BLACSLIB = -lblacs
# BLACS setup. All version need the debug level (0 or 1), SCALAPACKLIB = -lscalapack
# and the directory where the BLACS libraries are
#
BLACSDBGLVL = 0
BLACSdir = $(HOME)/lib
#
# MPI setup; uncomment and tailor to your system if using MPIBLACS
# Will need to comment out the default native BLACS setup below below
#
#USEMPI = -DUsingMpiBlacs
BLACSFINIT = $(BLACSdir)/blacsF77init_MPI-SP-$(BLACSDBGLVL).a
BLACSCINIT = $(BLACSdir)/blacsCinit_MPI-SP-$(BLACSDBGLVL).a
BLACSLIB = $(BLACSdir)/blacs_MPI-SP-$(BLACSDBGLVL).a
#
# system primitive BLACS setup, comment out if using MPI
#
CBLACSLIB = $(BLACSCINIT) $(BLACSLIB) $(BLACSCINIT)
FBLACSLIB = $(BLACSFINIT) $(BLACSLIB) $(BLACSFINIT)
#
# BLAS and LAPACK
#
#BLASLIB = /usr/local/lib/lapack.a -lesslsmp
BLASLIB = /usr/local/lib/lapack.a -lessl
#
# The name of the libraries to be linked to
#
PBLASLIB = $(HOME)/lib/pblas_SP.a
SCALAPACKLIB = $(HOME)/lib/libscalapack_SP.a
TOOLSLIB = $(HOME)/lib/tools_SP.a
REDISTLIB = $(HOME)/lib/redist_SP.a
...@@ -3,14 +3,16 @@ ...@@ -3,14 +3,16 @@
# x8664_gcc.mk # x8664_gcc.mk
# #
#------------------------------------------------------------------------------- #-------------------------------------------------------------------------------
# $Id: x8664_gcc.mk,v 1.10 2008-06-06 00:13:32 fgygi Exp $ # $Id: x8664_gcc.mk,v 1.11 2008-06-18 03:39:53 fgygi Exp $
# #
PLT=Linux_x8664 PLT=Linux_x8664
#------------------------------------------------------------------------------- #-------------------------------------------------------------------------------
#GCCDIR=/usr/lib/gcc/x86_64-redhat-linux/4.1.1
#MPIDIR=$(HOME)/software/mpich/mpich-1.2.6
MPIDIR=/opt/mpich-1.2.6 MPIDIR=/opt/mpich-1.2.6
XERCESCDIR=$(HOME)/software/xml/Linux_x8664/xerces-c-src_2_5_0 XERCESCDIR=$(HOME)/software/xml/Linux_x8664/xerces-c-src_2_5_0
FFTWDIR=$(HOME)/software/fftw/Linux_x8664/fftw-2.1.3/fftw
BLASDIR=$(HOME)/software/atlas/ATLAS/Linux_P4E64SSE3/lib
LAPACKDIR=$(HOME)/software/lapack/LAPACK
PLTOBJECTS = readTSC.o PLTOBJECTS = readTSC.o
CXX=/usr/bin/g++ CXX=/usr/bin/g++
...@@ -20,10 +22,6 @@ ...@@ -20,10 +22,6 @@
-D_FILE_OFFSET_BITS=64 -DUSE_MPI -DSCALAPACK -DADD_ \ -D_FILE_OFFSET_BITS=64 -DUSE_MPI -DSCALAPACK -DADD_ \
-DAPP_NO_THREADS -DXML_USE_NO_THREADS -DUSE_XERCES -DAPP_NO_THREADS -DXML_USE_NO_THREADS -DUSE_XERCES
FFTWDIR=$(HOME)/software/fftw/Linux_x8664/fftw-2.1.3/fftw
BLASDIR=$(HOME)/software/atlas/ATLAS/Linux_P4E64SSE3/lib
#BLASDIR=/usr/lib64
LAPACKDIR=$(HOME)/software/lapack/LAPACK
INCLUDE = -I$(MPIDIR)/include -I$(FFTWDIR) -I$(XERCESCDIR)/include INCLUDE = -I$(MPIDIR)/include -I$(FFTWDIR) -I$(XERCESCDIR)/include
...@@ -53,15 +51,10 @@ ...@@ -53,15 +51,10 @@
FBLACSLIB = $(BLACSFINIT) $(BLACSLIB) $(BLACSFINIT) FBLACSLIB = $(BLACSFINIT) $(BLACSLIB) $(BLACSFINIT)
# Scalapack libraries # Scalapack libraries
#SCALAPACK_DIR = $(HOME)/software/scalapack/Linux_x8664/SCALAPACK
SCALAPACK_DIR = $(HOME)/software/scalapack/Linux_x8664/scalapack-1.8.0 SCALAPACK_DIR = $(HOME)/software/scalapack/Linux_x8664/scalapack-1.8.0
#PBLASLIB = $(SCALAPACK_DIR)/pblas_$(PLAT).a
SCALAPACKLIB = $(SCALAPACK_DIR)/libscalapack.a SCALAPACKLIB = $(SCALAPACK_DIR)/libscalapack.a
#TOOLSLIB = $(SCALAPACK_DIR)/tools_$(PLAT).a
#REDISTLIB = $(SCALAPACK_DIR)/redist_$(PLAT).a
# Parallel libraries # Parallel libraries
#PLIBS = $(SCALAPACKLIB) $(PBLASLIB) $(TOOLSLIB) $(REDISTLIB) $(CBLACSLIB)
PLIBS = $(SCALAPACKLIB) $(CBLACSLIB) PLIBS = $(SCALAPACKLIB) $(CBLACSLIB)
#------------------------------------------------------------------------------- #-------------------------------------------------------------------------------
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