# System-dependent definitions for IBM BG/P massively parallel machine # Written for the Jugene machine in Juelich - edit according to your needs # make.sys. Generated from make.sys.in by configure. # updated by Carlo Cavazzoni 8 July 2009 # updated by Paolo Giannozzi 19 May 2010 # 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__MPI -D__PARA -D__LINUX_ESSL -D__SCALAPACK -D__WALLTIME FDFLAGS = -D__AIX,-D__XLF,-D__MPI,-D__PARA,-D__LINUX_ESSL,-D__SCALAPACK,-D__WALLTIME # IFLAGS = how to locate directories where files to be included are # In most cases, IFLAGS = -I../include # If loading an external FFTW library, add the location of FFTW include files IFLAGS = -I../include # MODFLAGS = flag used by f90 compiler to locate modules 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 = xlf90 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 $(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) FFLAGS = -O3 -qstrict -qsuffix=cpp=f90 \ -qdpc=e -qalias=noaryovrlp:nointptr -q32 F90FLAGS = $(FFLAGS) -WF,$(FDFLAGS) $(IFLAGS) $(MODFLAGS) # compiler flags without optimization for fortran-77 # the latter is NEEDED to properly compile dlamch.f, used by lapack FFLAGS_NOOPT = -O0 -q32 # Linker, linker-specific flags (if any) # Typically LD coincides with F90 or MPIF90, LD_LIBS is empty LD = $(MPIF90) LDFLAGS = -q32 LD_LIBS = # External Libraries (if any) : blas, lapack, fft, MPI # If you have nothing better, use the local copy : ../BLAS/blas.a BLAS_LIBS = -L/opt/ibmmath/essl/4.4/lib/ -lesslbg BLAS_LIBS_SWITCH = external FLIB_TARGETS = all # For IBM machines with essl (-D__ESSL): load essl BEFORE lapack ! # remember that LAPACK_LIBS precedes BLAS_LIBS in loading order LAPACK_LIBS = /homea/hch03/hch033/espresso/lapack-3.2/lapack.a LAPACK_LIBS_SWITCH = internal 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 # nothing needed here if the the internal copy of FFTW is compiled # (needs -D__FFTW -D__USE_INTERNAL_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 = # pgplot libraries (used by some post-processing tools) PGPLOT_LIBS = # ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv # ARFLAGS_DYNAMIC is used in iotk to produce a dynamical library, # for Mac OS-X with PowerPC and xlf compiler. In all other cases # ARFLAGS_DYNAMIC = $(ARFLAGS) AR = ar ARFLAGS = ruv ARFLAGS_DYNAMIC= 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 LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS) $(FFT_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(PGPLOT_LIBS) $(LD_LIBS)