mirror of https://gitlab.com/QEF/q-e.git
Very few BlueGene/Q left in the world (and soon they will be dismissed).
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12867 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
spigafi
parent
ff7d127a8c
commit
de10aaed31
147
install/Make.BGP
147
install/Make.BGP
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@ -1,147 +0,0 @@
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# System-dependent definitions for IBM BG/P massively parallel machine
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# Written for the Jugene machine in Juelich - edit according to your needs
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# make.sys. Generated from make.sys.in by configure.
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# updated by Carlo Cavazzoni 8 July 2009
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# updated by Paolo Giannozzi 19 May 2010
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# compilation rules
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.SUFFIXES :
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.SUFFIXES : .o .c .f .f90
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# most fortran compilers can directly preprocess c-like directives: use
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# $(MPIF90) $(F90FLAGS) -c $<
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# if explicit preprocessing by the C preprocessor is needed, use:
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# $(CPP) $(CPPFLAGS) $< -o $*.F90
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# $(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o
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# remember the tabulator in the first column !!!
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.f90.o:
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$(MPIF90) $(F90FLAGS) -c $<
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# .f.o and .c.o: do not modify
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.f.o:
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$(F77) $(FFLAGS) -c $<
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.c.o:
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$(CC) $(CFLAGS) -c $<
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# DFLAGS = precompilation options (possible arguments to -D and -U)
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# used by the C compiler and preprocessor
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# FDFLAGS = as DFLAGS, for the f90 compiler
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# See include/defs.h.README for a list of options and their meaning
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# With the exception of IBM xlf, FDFLAGS = $(DFLAGS)
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# For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas
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DFLAGS = -D__AIX -D__XLF -D__MPI -D__PARA -D__LINUX_ESSL -D__SCALAPACK -D__WALLTIME
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FDFLAGS = -D__AIX,-D__XLF,-D__MPI,-D__PARA,-D__LINUX_ESSL,-D__SCALAPACK,-D__WALLTIME
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# IFLAGS = how to locate directories where files to be included are
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# In most cases, IFLAGS = -I../include
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# If loading an external FFTW library, add the location of FFTW include files
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IFLAGS = -I../include
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# MODFLAGS = flag used by f90 compiler to locate modules
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MOD_FLAG = -I
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# Compilers: fortran-90, fortran-77, C
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# If a parallel compilation is desired, MPIF90 should be a fortran-90
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# compiler that produces executables for parallel execution using MPI
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# (such as for instance mpif90, mpf90, mpxlf90,...);
|
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# otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...)
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# If you have a parallel machine but no suitable candidate for MPIF90,
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# try to specify the directory containing "mpif.h" in IFLAGS
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# and to specify the location of MPI libraries in MPI_LIBS
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MPIF90 = mpixlf90_r
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#F90 = xlf90
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CC = bgxlc_r
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F77 = bgxlf_r
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|
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# C preprocessor and preprocessing flags - for explicit preprocessing,
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# if needed (see the compilation rules above)
|
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# preprocessing flags must include DFLAGS and IFLAGS
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CPP = cpp
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CPPFLAGS = -P $(DFLAGS) $(IFLAGS)
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# compiler flags: C, F90, F77
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# C flags must include DFLAGS and IFLAGS
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# F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax
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CFLAGS = -O3 -q32 $(DFLAGS) $(IFLAGS)
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FFLAGS = -O3 -qstrict -qsuffix=cpp=f90 \
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-qdpc=e -qalias=noaryovrlp:nointptr -q32
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F90FLAGS = $(FFLAGS) -WF,$(FDFLAGS) $(IFLAGS) $(MODFLAGS)
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|
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# compiler flags without optimization for fortran-77
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# the latter is NEEDED to properly compile dlamch.f, used by lapack
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FFLAGS_NOOPT = -O0 -q32
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|
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# Linker, linker-specific flags (if any)
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# Typically LD coincides with F90 or MPIF90, LD_LIBS is empty
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LD = $(MPIF90)
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LDFLAGS = -q32
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LD_LIBS =
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|
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# External Libraries (if any) : blas, lapack, fft, MPI
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|
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# If you have nothing better, use the local copy : ../BLAS/blas.a
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||||
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BLAS_LIBS = -L/opt/ibmmath/essl/4.4/lib/ -lesslbg
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BLAS_LIBS_SWITCH = external
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FLIB_TARGETS = all
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|
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# For IBM machines with essl (-D__ESSL): load essl BEFORE lapack !
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# remember that LAPACK_LIBS precedes BLAS_LIBS in loading order
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LAPACK_LIBS = /homea/hch03/hch033/espresso/lapack-3.2/lapack.a
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LAPACK_LIBS_SWITCH = internal
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SCALAPACK_LIBS = /bgsys/local/scalapack/lib/libscalapack.a /bgsys/local/blacs/lib/libblacs.a /bgsys/local/blacs/lib/libblacsF77init.a /bgsys/local/blacs/lib/libblacs.a
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|
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# nothing needed here if the the internal copy of FFTW is compiled
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# (needs -D__FFTW -D__USE_INTERNAL_FFTW in DFLAGS)
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FFT_LIBS =
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|
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# For parallel execution, the correct path to MPI libraries must
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# be specified in MPI_LIBS (except for IBM if you use mpxlf)
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MPI_LIBS =
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|
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# IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS
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MASS_LIBS =
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# pgplot libraries (used by some post-processing tools)
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PGPLOT_LIBS =
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# ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv
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# ARFLAGS_DYNAMIC is used in iotk to produce a dynamical library,
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# for Mac OS-X with PowerPC and xlf compiler. In all other cases
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# ARFLAGS_DYNAMIC = $(ARFLAGS)
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AR = ar
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ARFLAGS = ruv
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ARFLAGS_DYNAMIC= ruv
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# ranlib command. If ranlib is not needed (it isn't in most cases) use
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# RANLIB = echo
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RANLIB = ranlib
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|
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# all internal and external libraries - do not modify
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|
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LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a
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LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS) $(FFT_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(PGPLOT_LIBS) $(LD_LIBS)
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|
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@ -1,145 +0,0 @@
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# make.sys. Generated from make.sys.in by configure.
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||||
|
||||
# compilation rules
|
||||
|
||||
.SUFFIXES :
|
||||
.SUFFIXES : .o .c .f .f90
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||||
|
||||
# most fortran compilers can directly preprocess c-like directives: use
|
||||
# $(MPIF90) $(F90FLAGS) -c $<
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||||
# if explicit preprocessing by the C preprocessor is needed, use:
|
||||
# $(CPP) $(CPPFLAGS) $< -o $*.F90
|
||||
# $(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o
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||||
# remember the tabulator in the first column !!!
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||||
|
||||
.f90.o:
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$(MPIF90) $(F90FLAGS) -c $<
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||||
|
||||
# .f.o and .c.o: do not modify
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||||
|
||||
.f.o:
|
||||
$(F77) $(FFLAGS) -c $<
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||||
|
||||
.c.o:
|
||||
$(CC) $(CFLAGS) -c $<
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||||
|
||||
|
||||
# DFLAGS = precompilation options (possible arguments to -D and -U)
|
||||
# used by the C compiler and preprocessor
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||||
# FDFLAGS = as DFLAGS, for the f90 compiler
|
||||
# See include/defs.h.README for a list of options and their meaning
|
||||
# With the exception of IBM xlf, FDFLAGS = $(DFLAGS)
|
||||
# For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas
|
||||
|
||||
DFLAGS = -D__AIX -D__XLF -D__LINUX_ESSL -D__MPI -D__PARA -D__SCALAPACK -D__OPENMP
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||||
FDFLAGS = -D__AIX,-D__XLF,-D__LINUX_ESSL,-D__MPI,-D__PARA,-D__SCALAPACK,-D__OPENMP
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||||
|
||||
|
||||
# IFLAGS = how to locate directories where files to be included are
|
||||
# In most cases, IFLAGS = -I../include
|
||||
|
||||
IFLAGS = -I../include
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||||
|
||||
# MOD_FLAGS = flag used by f90 compiler to locate modules
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||||
# Each Makefile defines the list of needed modules in MODFLAGS
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||||
|
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MOD_FLAG = -I
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||||
|
||||
# Compilers: fortran-90, fortran-77, C
|
||||
# If a parallel compilation is desired, MPIF90 should be a fortran-90
|
||||
# compiler that produces executables for parallel execution using MPI
|
||||
# (such as for instance mpif90, mpf90, mpxlf90,...);
|
||||
# otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...)
|
||||
# If you have a parallel machine but no suitable candidate for MPIF90,
|
||||
# try to specify the directory containing "mpif.h" in IFLAGS
|
||||
# and to specify the location of MPI libraries in MPI_LIBS
|
||||
|
||||
MPIF90 = mpixlf90_r
|
||||
#F90 = bgxlf90_r
|
||||
CC = bgxlc_r
|
||||
F77 = bgxlf_r
|
||||
|
||||
# C preprocessor and preprocessing flags - for explicit preprocessing,
|
||||
# if needed (see the compilation rules above)
|
||||
# preprocessing flags must include DFLAGS and IFLAGS
|
||||
|
||||
CPP = cpp
|
||||
CPPFLAGS = -P -traditional $(DFLAGS) $(IFLAGS)
|
||||
|
||||
# compiler flags: C, F90, F77
|
||||
# C flags must include DFLAGS and IFLAGS
|
||||
# F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax
|
||||
|
||||
CFLAGS = -O3 $(DFLAGS) $(IFLAGS)
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||||
F90FLAGS = $(FFLAGS) -qsuffix=cpp=f90 -WF,$(FDFLAGS) $(IFLAGS) $(MODFLAGS)
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||||
FFLAGS = -q32 -qalias=noaryovrlp:nointptr -O3 -qstrict -qdpc=e -qsmp=omp -qthreaded
|
||||
|
||||
# compiler flags without optimization for fortran-77
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||||
# the latter is NEEDED to properly compile dlamch.f, used by lapack
|
||||
|
||||
FFLAGS_NOOPT = -q32 -O0
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||||
|
||||
# Linker, linker-specific flags (if any)
|
||||
# Typically LD coincides with F90 or MPIF90, LD_LIBS is empty
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||||
|
||||
LD = mpixlf90_r
|
||||
LDFLAGS = -q32 -qsmp=omp -qthreaded
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||||
LD_LIBS =
|
||||
|
||||
# External Libraries (if any) : blas, lapack, fft, MPI
|
||||
|
||||
# If you have nothing better, use the local copy :
|
||||
# BLAS_LIBS = /your/path/to/espresso/BLAS/blas.a
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||||
# BLAS_LIBS_SWITCH = internal
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||||
|
||||
BLAS_LIBS = -L/opt/ibmmath/essl/4.4/lib/ -lesslsmpbg
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||||
BLAS_LIBS_SWITCH = external
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||||
|
||||
# If you have nothing better, use the local copy :
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||||
# LAPACK_LIBS = /your/path/to/espresso/LAPACK/lapack.a
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||||
# LAPACK_LIBS_SWITCH = internal
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||||
|
||||
# The following lapack libraries will be available in flib/ :
|
||||
# ../flib/lapack.a : contains all needed routines
|
||||
# ../flib/lapack_atlas.a: only routines not present in the Atlas library
|
||||
# For IBM machines with essl (-D__ESSL): load essl BEFORE lapack !
|
||||
# remember that LAPACK_LIBS precedes BLAS_LIBS in loading order
|
||||
|
||||
LAPACK_LIBS = -L/opt/ibmmath/essl/4.4/lib/ -lesslsmpbg /homea/hch03/hch033/espresso/lapack-3.2/lapack.a
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||||
LAPACK_LIBS_SWITCH = internal
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||||
|
||||
SCALAPACK_LIBS = -L/bgsys/local/scalapack/lib -lscalapack -L/bgsys/local/blacs/lib -lblacs -lblacsF77init -lblacs
|
||||
|
||||
# nothing needed here if the the internal copy of FFTW is compiled
|
||||
# (needs -D__FFTW in DFLAGS)
|
||||
|
||||
FFT_LIBS = -L/opt/ibmmath/essl/4.4/lib/ -lesslsmpbg
|
||||
|
||||
# For parallel execution, the correct path to MPI libraries must
|
||||
# be specified in MPI_LIBS (except for IBM if you use mpxlf)
|
||||
|
||||
MPI_LIBS =
|
||||
|
||||
# IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS
|
||||
|
||||
MASS_LIBS =
|
||||
|
||||
# ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv
|
||||
|
||||
AR = ar
|
||||
ARFLAGS = ruv
|
||||
|
||||
# ranlib command. If ranlib is not needed (it isn't in most cases) use
|
||||
# RANLIB = echo
|
||||
|
||||
RANLIB = ranlib
|
||||
|
||||
# all internal and external libraries - do not modify
|
||||
|
||||
FLIB_TARGETS = all
|
||||
|
||||
LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a
|
||||
LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(PGPLOT_LIBS) $(LD_LIBS)
|
||||
|
||||
# topdir for linking espresso libs with plugins
|
||||
TOPDIR = /homea/hch03/hch033/espresso
|
||||
|
|
@ -1,143 +0,0 @@
|
|||
# make.sys. Generated from make.sys.in by configure.
|
||||
|
||||
# compilation rules
|
||||
|
||||
.SUFFIXES :
|
||||
.SUFFIXES : .o .c .f .f90
|
||||
|
||||
# most fortran compilers can directly preprocess c-like directives: use
|
||||
# $(MPIF90) $(F90FLAGS) -c $<
|
||||
# if explicit preprocessing by the C preprocessor is needed, use:
|
||||
# $(CPP) $(CPPFLAGS) $< -o $*.F90
|
||||
# $(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o
|
||||
# remember the tabulator in the first column !!!
|
||||
|
||||
.f90.o:
|
||||
$(MPIF90) $(F90FLAGS) -c $<
|
||||
|
||||
# .f.o and .c.o: do not modify
|
||||
|
||||
.f.o:
|
||||
$(F77) $(FFLAGS) -c $<
|
||||
|
||||
.c.o:
|
||||
$(CC) $(CFLAGS) -c $<
|
||||
|
||||
|
||||
# DFLAGS = precompilation options (possible arguments to -D and -U)
|
||||
# used by the C compiler and preprocessor
|
||||
# FDFLAGS = as DFLAGS, for the f90 compiler
|
||||
# See include/defs.h.README for a list of options and their meaning
|
||||
# With the exception of IBM xlf, FDFLAGS = $(DFLAGS)
|
||||
# For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas
|
||||
|
||||
DFLAGS = -D__AIX -D__XLF -D__MASS -D__MPI -D__PARA -D__LINUX_ESSL -D__SCALAPACK -D__OPENMP -D__FFTW
|
||||
FDFLAGS = -D__AIX,-D__XLF,-D__MASS,-D__MPI,-D__PARA,-D__LINUX_ESSL,-D__SCALAPACK,-D__OPENMP,-D__FFTW
|
||||
|
||||
# IFLAGS = how to locate directories where files to be included are
|
||||
# In most cases, IFLAGS = -I../include
|
||||
|
||||
IFLAGS = -I../include
|
||||
|
||||
# MOD_FLAGS = flag used by f90 compiler to locate modules
|
||||
# Each Makefile defines the list of needed modules in MODFLAGS
|
||||
|
||||
MOD_FLAG = -I
|
||||
|
||||
# Compilers: fortran-90, fortran-77, C
|
||||
# If a parallel compilation is desired, MPIF90 should be a fortran-90
|
||||
# compiler that produces executables for parallel execution using MPI
|
||||
# (such as for instance mpif90, mpf90, mpxlf90,...);
|
||||
# otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...)
|
||||
# If you have a parallel machine but no suitable candidate for MPIF90,
|
||||
# try to specify the directory containing "mpif.h" in IFLAGS
|
||||
# and to specify the location of MPI libraries in MPI_LIBS
|
||||
|
||||
MPIF90 = mpixlf90_r
|
||||
#F90 = bgxlf90_r
|
||||
CC = bgxlc_r
|
||||
F77 = bgxlf_r
|
||||
|
||||
# C preprocessor and preprocessing flags - for explicit preprocessing,
|
||||
# if needed (see the compilation rules above)
|
||||
# preprocessing flags must include DFLAGS and IFLAGS
|
||||
|
||||
CPP = cpp
|
||||
CPPFLAGS = -P -traditional $(DFLAGS) $(IFLAGS)
|
||||
|
||||
# compiler flags: C, F90, F77
|
||||
# C flags must include DFLAGS and IFLAGS
|
||||
# F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax
|
||||
|
||||
CFLAGS = -O3 -q32 $(DFLAGS) $(IFLAGS)
|
||||
F90FLAGS = $(FFLAGS) -qsuffix=cpp=f90 -WF,$(FDFLAGS) $(IFLAGS) $(MODFLAGS)
|
||||
FFLAGS = -q32 -qalias=noaryovrlp:nointptr -O3 -qstrict -qdpc=e -qsmp=omp -qthreaded
|
||||
|
||||
# compiler flags without optimization for fortran-77
|
||||
# the latter is NEEDED to properly compile dlamch.f, used by lapack
|
||||
|
||||
FFLAGS_NOOPT = -q32 -O0
|
||||
|
||||
# Linker, linker-specific flags (if any)
|
||||
# Typically LD coincides with F90 or MPIF90, LD_LIBS is empty
|
||||
|
||||
LD = mpixlf90_r
|
||||
LDFLAGS = -q32 -qsmp -qthreaded -Wl,--allow-multiple-definition
|
||||
LD_LIBS =
|
||||
|
||||
# External Libraries (if any) : blas, lapack, fft, MPI
|
||||
|
||||
# If you have nothing better, use the local copy :
|
||||
# BLAS_LIBS = /your/path/to/espresso/BLAS/blas.a
|
||||
# BLAS_LIBS_SWITCH = internal
|
||||
|
||||
BLAS_LIBS = /bgsys/ibm_essl/sles10/prod/opt/ibmmath/essl/4.4/lib/libesslsmpbg.a
|
||||
BLAS_LIBS_SWITCH = external
|
||||
|
||||
# If you have nothing better, use the local copy :
|
||||
# LAPACK_LIBS = /your/path/to/espresso/lapack-3.2/lapack.a
|
||||
# LAPACK_LIBS_SWITCH = internal
|
||||
# For IBM machines with essl (-D__ESSL): load essl BEFORE lapack !
|
||||
# remember that LAPACK_LIBS precedes BLAS_LIBS in loading order
|
||||
|
||||
LAPACK_LIBS = /bgp/userinternal/acv0/espresso/lapack-3.2/lapack.a
|
||||
LAPACK_LIBS_SWITCH = internal
|
||||
|
||||
MYLIB=/bgp/userinternal/acv0/lib
|
||||
BLACS_LIBS=$(MYLIB)/libblacs.a $(MYLIB)/libblacsF77init.a $(MYLIB)/libblacs.a
|
||||
SCALAPACK_LIBS=/bgp/userinternal/acv0/lib/libscalapack.a $(BLACS_LIBS)
|
||||
|
||||
|
||||
# nothing needed here if the the internal copy of FFTW is compiled
|
||||
# (needs -D__FFTW in DFLAGS)
|
||||
|
||||
FFT_LIBS =
|
||||
|
||||
# For parallel execution, the correct path to MPI libraries must
|
||||
# be specified in MPI_LIBS (except for IBM if you use mpxlf)
|
||||
|
||||
MPI_LIBS =
|
||||
|
||||
# IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS
|
||||
|
||||
MASS_LIBS = /opt/ibmcmp/xlmass/bg/4.4/bglib/libmassv.a /opt/ibmcmp/xlmass/bg/4.4/bglib/libmass.a
|
||||
|
||||
# ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv
|
||||
|
||||
AR = ar
|
||||
ARFLAGS = ruv
|
||||
|
||||
# ranlib command. If ranlib is not needed (it isn't in most cases) use
|
||||
# RANLIB = echo
|
||||
|
||||
RANLIB = ranlib
|
||||
|
||||
# all internal and external libraries - do not modify
|
||||
|
||||
FLIB_TARGETS = all
|
||||
|
||||
LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a
|
||||
LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(LD_LIBS)
|
||||
|
||||
# topdir for linking espresso libs with plugins
|
||||
TOPDIR = /bgp/userinternal/acv0/espresso
|
||||
Loading…
Reference in New Issue