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Apr 23rd, 2019
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  1. CC = gcc
  2. CXX = g++
  3. CPP =
  4. FC = mpifort
  5. LD = mpifort
  6. NVCC = nvcc
  7. #
  8. GPUVER = K20X
  9. ELPAVER = 2017.05.003
  10. #
  11. AR = ar -r
  12. #
  13. DFLAGS = -D__FFTW3 \
  14. -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__MAX_CONTR=4 \
  15. -D__LIBXC \
  16. -D__parallel -D__SCALAPACK \
  17. -D__LIBXSMM \
  18. -D__SPGLIB \
  19. -D__HAS_LIBGRID \
  20. -D__ACC -D__DBCSR_ACC -D__PW_CUDA \
  21. -D__ELPA=201705 \
  22. -D__F2008
  23. #
  24. INCS = -I/usr/include \
  25. -I/usr/include/elpa_openmp-$(ELPAVER)/elpa \
  26. -I/usr/include/elpa_openmp-$(ELPAVER)/modules \
  27. -I/opt/cuda/include
  28. #
  29. OPTFLAGS = -O3 -march=native -fopenmp
  30. #
  31. CFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS)
  32. CXXFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) -std=c++11
  33. CPPFLAGS =
  34. FCFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) -ffree-form -ffree-line-length-none
  35. NVFLAGS = $(DFLAGS) -O3 -arch=sm_35 -Xcompiler="-fopenmp"
  36. #
  37. LDFLAGS = $(FCFLAGS)
  38. #
  39. LIBS = -L/opt/cuda/lib64 -lcudart -lcublas -lcufft -lrt -lnvrtc \
  40. -lscalapack -lblas -llapack \
  41. -lfftw3 -lfftw3_threads \
  42. /usr/lib/libderiv.a \
  43. /usr/lib/libint.a \
  44. -lxcf03 -lxc \
  45. -lxsmmf -lxsmm \
  46. -lsymspg \
  47. /usr/lib/libgrid.a \
  48. -lelpa_openmp \
  49. -lstdc++ -lpthread -lm -ldl -lz
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