mirror of https://gitlab.com/QEF/q-e.git
More installation tweaking
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@105 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz
parent
1802a8e777
commit
b371f3eea6
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@ -3,26 +3,28 @@
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# Based on info from N. Marzari and B.R. Sahu
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# Edit according to your needs
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#
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# add -DMKL if using the Intel Mathematical Kernel Library
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# add -D__MKL if using the Intel Mathematical Kernel Library
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# Add -DADD_BLAS_ONE_UNDERSCORE if your blas/lapack library names contain
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# two underscores at the end
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# Define FFTW library names with one underscore less than they have in
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# the library (one underscore is added by the compiler)
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#
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CPPFLAGS = -I$(OSHOME)/include/ -D__LINUX -D__MKL -D__PARA -D__MPI -D__FFTW \
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-D"FFTWND_F77_ONE=fftwnd_f77_one" \
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-D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan" \
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-D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan" \
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-D"FFTW_F77=fftw_f77"
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CPPFLAGS = -I$(OSHOME)/include/ -D__LINUX -D__INTEL -D__MKL -D__FFTW \
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-D__PARA -D__MPI \
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-D"FFTWND_F77_ONE=fftwnd_f77_one_" \
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-D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan_" \
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-D"FFTW_F77=fftw_f77_" \
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-D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan_"
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#
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# Fortran compiler:
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# Fortran compiler
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#
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F90 = mpif90
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F77 = mpif77
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CC = mpicc
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#
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# fortran options:
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# Fortran compiler flags
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#
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# -Vaxlib enables the use of portability libraries (getarg
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# and maybe other library calls)
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# -W0 disable warnings
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@ -31,10 +33,20 @@ CC = mpicc
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# -tpp6 Pentium Pro, 2, 3 optimization
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# -tpp7 Pentium 4 optimization
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#
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FFLAGS = -O2 -Vaxlib
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FFLAGS = -Vaxlib -O2 -tpp6
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#
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F77FLAGS= $(FFLAGS)
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F90FLAGS= $(FFLAGS) -fpp $(CPPFLAGS)
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# Fortran90 compiler flags
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#
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F90FLAGS = $(FFLAGS) -fpp $(CPPFLAGS)
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#
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# Fortran77 compiler flags
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#
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F77FLAGS = $(FFLAGS)
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F77FLAGS_NOOPT = -O0
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#
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# C compiler flags
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#
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CCFLAGS = $(CPPFLAGS) -O3 -fomit-frame-pointer
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#
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# This is needed to tell the compiler where modules are
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#
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@ -45,20 +57,26 @@ MODULEFLAG= -nomodule -I $(OSHOME)/Modules -I$(OSHOME)/PW I $(OSHOME)/PH
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#
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# Loader:
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#
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# The following is for Intel MKL libraries (remember -DMKL in CPPFLAGS !)
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# The following is for Intel MKL libraries v. 5.1 on Pentium-3
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# (remember -D__MKL in CPPFLAGS !)
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# For MKL v. 5.2, add "-lguide"
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# Use libmkl_p3.a for Pentium-3, libmkl_p4.a for Pentium-4 machines
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# (MKL will likely not work for other CPUs like Athlon)
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LIBS= -lfftw /opt/intel/mkl/lib/32/libmkl_lapack.a \
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/opt/intel/mkl/lib/32/libmkl_p3.a -lpthread
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/opt/intel/mkl/lib/32/libmkl_p3.a -lguide -lpthread
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# The following is for Atlas optimized blas/lapack libraries
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# You may not actually need -lcblas . See the manual for details
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# on how to fix I/O incompatibility problems with ifc
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#
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# LIBS = -lfftw -L$(HOME)/Linux_ATHLON256/ -llapack -lf77blas -lcblas -latlas
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#
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# The following is to use blas and lapack from the source code
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# MYLIB=blas_and_lapack
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#
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LD=$(F90)
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LDFLAGS = $(OSHOME)/flib/flib.a $(LIBS)
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LDFLAGS = $(OSHOME)/flib/flib.a -Vaxlib $(LIBS)
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#
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# ar:
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@ -1,98 +0,0 @@
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######################################################################
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# LINUX INTEL Compilers
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#
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# Architecture
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ARCH=lnx.intel
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#
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######################################################################
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# --- Change Variables according to your system --- #
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# ** Preprocessor Macro **
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# Parallel MPI
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CPMACRO=-D__LINUX -D__MPI -D__PARA -D__INTEL -D__FFTW \
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-D"FFTWND_F77_ONE=fftwnd_f77_one_" \
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-D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan_" \
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-D"FFTW_F77=fftw_f77_" \
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-D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan_"
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#
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# Serial Code
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CPMACRO=-D__LINUX -D__INTEL -D__FFTW \
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-D"FFTWND_F77_ONE=fftwnd_f77_one_" \
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-D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan_" \
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-D"FFTW_F77=fftw_f77_" \
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-D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan_"
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#
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# PentiumIII
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CPUTYPE=-tpp6
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# PentiumIV
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CPUTYPE=-tpp7
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#
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# Module, Intel Compiler Version option
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# use this for version < 7
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MODULEOPT= -cl,./intel.pcl
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# use this for version >= 7
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# MODULEOPT= -nomodule -I $(OSHOME)/Modules -I$(OSHOME)/FPMD
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#
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# ** Scientific Libraries **
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# Use System Lapack and blas
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LAPACK= /opt/intel/mkl/lib/32/libmkl_lapack.a \
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/opt/intel/mkl/lib/32/libmkl_p4.a -lguide -lpthread -lfftw
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MYLIB=
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# Use blas and lapack from the source code
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# MYLIB=blas_and_lapack
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# Use System lapack and Atlas
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# ATLAS=/cineca/lib/ATLAS
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# LAPACK= -L/cineca/lib/intel -llapack -L$(ATLAS) -lf77blas -latlas
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#
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# ** Communication Libraries **
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# mpich compiled with GNU compiler
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# MPICH = /usr/local/mpich/gnu/
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# INCLUDE = -I/$(MPICH)/include
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# LIBMPI=-L$(MPICH)/lib -lfmpich -lmpich
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# LIBGM=-L/usr/gm/lib -lgm
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#
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# ** Include **
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INCLUDEPATH=-I$(OSHOME)/include -I$(OSHOME)/clib
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#
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######################################################################
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# *** Usually you don't need to edit variables below this line **** #
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######################################################################
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#
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# Flag for the compilation of the fortran source files
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OPTIMIZATIONS = -O2 $(CPUTYPE)
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NOOPTIMIZATIONS = -O0
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DEBUGFLAGS =
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PREPROCESSING = -fpp $(CPMACRO)
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FREEFORM = -FR
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INTELFLAG = -autodouble -i4 -w -static -Vaxlib
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ARCHFLAGS = -v
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ARCHFLAGS =
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F77FLAGS = $(ARCHFLAGS) $(INTELFLAG) $(DEBUGFLAGS) $(OPTIMIZATIONS)
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F77FLAGS_NOOPT = $(ARCHFLAGS) $(INTELFLAG) $(DEBUGFLAGS) $(NOOPTIMIZATIONS)
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F90FLAGS = $(PREPROCESSING) $(ARCHFLAGS) $(INTELFLAG) $(FREEFORM) $(DEBUGFLAGS) $(OPTIMIZATIONS) $(INCLUDE)
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LDFLAGS = $(ARCHFLAGS) $(DEBUGFLAGS)
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#
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# Flag for the compilation of the c source files
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CCFLAGS = $(INCLUDEPATH) $(ARCHFLAGS) $(DEBUGFLAGS) $(CPMACRO) -O3 -fomit-frame-pointer
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#
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# --- Preprocessor ---
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CPP= /lib/cpp
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CPPFLAGS=-P -C -traditional
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#
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AR = ar
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ARFLAGS = rv
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# --- Name of the fortran compiler ---
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F77= ifc
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F90= ifc
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CC= gcc
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LD= ifc
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#
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# --- Modules --
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MODULEFLAG= $(MODULEOPT)
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#
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# --- Library ---
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# to link -lfmpich compiled with GNU compiler
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LIBS= $(LAPACK) $(LIBMPI) $(LIBGM) -Vaxlib -lm -lc
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#
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@ -1,49 +0,0 @@
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######################################################################
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# CRAY T3E
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#
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ARCH=t3e
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#
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######################################################################
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# --- Change Variables according to your system --- #
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# ** Preprocessor Macro **
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# Uncomment to use benchlib
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# BENCHLIB= -L /a/acv0/bnchlib/ -l _scalar -l _vect -l _ereg
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#
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CPMACRO=-D__T3E -D__PARA -D__MPI
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BENCHLIB=
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#
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######################################################################
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# *** Usually you don't need to edit variables below this line **** #
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######################################################################
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#
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# General Flags
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#
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# Flag for the compilation of the fortran source files
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OPTIMIZATIONS = -O3 -O unroll2 -O pipeline3 -O aggress -O fusion -O bl
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DEBUGFLAGS =
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PREPROCESSING = -F -eZ
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FREEFORM = -f free
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ARCHFLAGS = -dp -Xm -M 1110
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F77FLAGS = $(ARCHFLAGS) $(DEBUGFLAGS) $(OPTIMIZATIONS)
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F90FLAGS = $(ARCHFLAGS) $(PREPROCESSING) $(FREEFORM) $(DEBUGFLAGS) $(OPTIMIZATIONS)
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LDFLAGS = $(ARCHFLAGS)
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#
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# Flag for the compilation of the c source files
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CCFLAGS= -O2 $(CPMACRO)
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AR = ar
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ARFLAGS = rv
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#
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# Libraries
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LIBS= $(BENCHLIB)
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MODULEFLAG=-p $(OSHOME)/CPV -p $(OSHOME)/Modules
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#
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# Name of the fortran compiler
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FC= f90
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F90= f90
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F77= f90
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LD= f90
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#
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#
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@ -1,5 +1,5 @@
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#
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# System-dependent Make definitions for Linux, Intel compiler (v.5-6)
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# System-dependent Make definitions for Linux, Intel compiler
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# Edit according to your needs
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#
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# add -D__MKL if using the Intel Mathematical Kernel Library
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@ -8,13 +8,13 @@
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# Define FFTW library names with one underscore less than they have in
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# the library (one underscore is added by the compiler)
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#
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CPPFLAGS = -I$(OSHOME)/include/ -D__LINUX -D__INTEL -D__MKL -D__FFTW \
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CPPFLAGS = -I$(OSHOME)/include/ -D__LINUX -D__INTEL -D__MKL -D__FFTW \
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-D"FFTWND_F77_ONE=fftwnd_f77_one_" \
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-D"FFTW3D_F77_CREATE_PLAN=fftw3d_f77_create_plan_" \
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-D"FFTW_F77=fftw_f77_" \
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-D"FFTW_F77_CREATE_PLAN=fftw_f77_create_plan_"
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#
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# Fortran compiler:
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# Fortran compiler
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#
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F90 = ifc
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F77 = ifc
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@ -29,11 +29,11 @@ F77 = ifc
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# -tpp6 Pentium Pro, 2, 3 optimization
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# -tpp7 Pentium 4 optimization
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#
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FFLAGS =-Vaxlib -O2 -tpp6
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FFLAGS = -Vaxlib -O2 -tpp6
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#
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# Fortran90 compiler flags
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#
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F90FLAGS= $(FFLAGS) -fpp $(CPPFLAGS)
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F90FLAGS = $(FFLAGS) -fpp $(CPPFLAGS)
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#
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# Fortran77 compiler flags
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#
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@ -52,10 +52,10 @@ CCFLAGS = $(CPPFLAGS) -O3 -fomit-frame-pointer
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#
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# Loader:
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#
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# The following is for Intel MKL libraries v. 5.1 on Pentium-4
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# The following is for Intel MKL libraries v. 5.1 on Pentium-3
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# (remember -D__MKL in CPPFLAGS !)
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# For MKL v. 5.2, add "-lguide"
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# Use libmkl_p3 for Pentium-3, libmkl_p4.a for Pentium-4 machines
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# Use libmkl_p3.a for Pentium-3, libmkl_p4.a for Pentium-4 machines
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# (MKL will likely not work for other CPUs like Athlon)
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#
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LIBS= -lfftw /opt/intel/mkl/lib/32/libmkl_lapack.a \
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@ -69,7 +69,7 @@ LIBS= -lfftw /opt/intel/mkl/lib/32/libmkl_lapack.a \
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#
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# The following is to use blas and lapack from the source code
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# MYLIB=blas_and_lapack
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#
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LD=$(F90)
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LDFLAGS = $(OSHOME)/flib/flib.a -Vaxlib $(LIBS)
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@ -9,23 +9,34 @@ CPP = /opt/ctl/bin/cpp
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# add -D__BENCHLIB if the benchlib is installed
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# remove -D__FFTW if fftw is not installed and you cannot compile it
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# (you will use the fft's contained in standard t3e libraries)
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#
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CPPFLAGS = -I$(OSHOME)/include/ -D__T3E -D__PARA -D__MPI -D__FFTW
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#
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# Fortran compiler:
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#
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F90 = f90
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F77 = f90
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#
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# you may need to add -Idir, where "dir" is the directory where mpif.h resides
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# you may need to add -Idir, where "dir"=directory where mpif.h resides
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# with -M1110 flag compiler does not issue warning messages for
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# the use of DOUBLE PRECISION constants in the code. (SdG)
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#
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# More aggressive optimization flags:
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# -O3 -O unroll2 -O pipeline3 -O aggress -O fusion -O bl
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#
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FFLAGS = -em -dp -M1110
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#
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F77FLAGS = $(FFLAGS) -eZ
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# Fortran90 compiler flags
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#
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F90FLAGS = $(FFLAGS) -F -eZ $(CPPFLAGS)
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#
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# Fortran77 compiler flags
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F77FLAGS = $(FFLAGS) -eZ
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#
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# C compiler flags
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#
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CCFLAGS = $(CPPFLAGS) -O2
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#
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# This is needed to tell the compiler where modules are
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#
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MODULEFLAG= -p$(OSHOME)/Modules -p$(OSHOME)/PW -p$(OSHOME)/PH
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@ -34,7 +45,8 @@ MODULEFLAG= -p$(OSHOME)/Modules -p$(OSHOME)/PW -p$(OSHOME)/PH
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#
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# usually blas and lapack are automatically loaded
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# and only fftw (if required) and mpi need to be specified
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# if you use -D__BENCHLIB, load the benchlib as well
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# if you use -D__BENCHLIB, load the benchlib as well :
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# -l _scalar -l _vect -l _ereg
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#
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LD=$(F90)
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LIBS = -lfftw -lmpi
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