HF and -O2 optimization flag

nadler rod... at gmx.ch
Fri Mar 18 17:02:48 CET 2011


I managed to obtain an executable with -O2 set that does not produce 
segmentation faults with the following arch file:

INTEL_MKL = /opt/intel/Compiler/11.1/069/mkl
INTEL_INC = $(INTEL_MKL)/include
INTEL_INC_FFTW = $(INTEL_INC)/fftw
INTEL_LIB = $(INTEL_MKL)/lib/em64t
INTEL_FFTW_LIB = $(INTEL_MKL)/interfaces/fftw3xf
#LIBINT_LIB = /opt/lib/libint.intel11.x64/lib
LIBINT_LIB = /u/roger/build/libint1.1.4-ompi/lib
LIBINT_INC = /u/roger/build/libint1.1.4-ompi/include

CC       = cc
CPP      = cpp
FC       = mpif90
LD       = mpif90
AR       = xiar -r
DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK 
-D__FFTW3 -D__FFTMKL -D__LIBINT -D__HAS_NO_ISO_C_BINDING
CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC) -I$(INTEL_INC_FFTW) 
-I/u/roger/temp -I$(LIBINT_INC)
FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -I/u/roger/temp -O2 -xW -heap-arrays 64 
-funroll-loops -fpp -free 
FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -I/u/roger/temp -O1 -xW -heap-arrays 64 
-fpp -free
#FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -I/u/roger/temp -O2 -xHost -heap-arrays 
64 -fpp -free 
LDFLAGS  = $(FCFLAGS) -I$(INTEL_INC) -I/u/roger/temp
LIBS     = -L$(INTEL_LIB) -L$(INTEL_FFTW_LIB) -lfftw3xf_intel -limf -lm 
-lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 \
           -lmkl_blacs_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \
           
/u/roger/opt/r422e2/cp2k/tools/hfx_tools/libint_tools-mpi/libint_cpp_wrapper.o 
\
           $(LIBINT_LIB)/libderiv.a $(LIBINT_LIB)/libint.a -lstdc++ 
-lpthread 

OBJECTS_ARCHITECTURE = machine_intel.o


graphcon.o: graphcon.F 
        $(FC) -c $(FCFLAGS2) $<
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