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# - CentOS 6.5 (x86_64) [ module load gfortran-suite/4.8.2 ]
# - gcc 4.8.2
# - gfortran 4.8.2
# - Intel MKL Parallel Studio XE v2011-08-23
# - FFTW3 3.3.3
# - LIBXC 2.0.3
# - LIBINT 1.1.5 (with non default: --with-libint-max-am=5
# --with-libderiv-max-am1=4)
# - OpenCL 1.1 (NVIDIA)
#
# LIB's ################################################################
LIBS = -L${FFTW3_PATH}/lib \
-lfftw3
LIBS += -Wl,--start-group \
$(INTEL_MKL_LIB)/libmkl_intel_lp64.a \
$(INTEL_MKL_LIB)/libmkl_core.a \
$(INTEL_MKL_LIB)/libmkl_sequential.a \
-Wl,--end-group \
-lpthread -lm -ldl
LIBS += -L$(LIBINT_PATH)/lib \
-lderiv \
-lint
LIBS += -L$(LIBXC_PATH)/lib \
-lxc
LIBS += -lOpenCL
# PROG's ###############################################################
CPP =
CC = gcc
FC = gfortran
LD = gfortran
AR = ar -r
# FLAG's ###############################################################
DFLAGS = -D__FFTW3 \
-D__ACC -D__DBCSR_ACC -D__OPENCL \
-D__LIBXC2 \
-D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 \
-D__USE_CP2K_TRACE \
-D__HAS_ISO_C_BINDING
AFLAGS = $(DFLAGS) -O3 -mtune=native -ffast-math -funroll-loops -ftree-vectorize
CPPFLAGS = $(DFLAGS) -traditional -C
CFLAGS = $(AFLAGS)
FCFLAGS = $(AFLAGS) -ffree-form -ffree-line-length-none
LDFLAGS = $(FCFLAGS)
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