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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. #
  10. AR = ar -r
  11. #
  12. DFLAGS = -D__FFTW3 \
  13. -D__LIBINT \
  14. -D__parallel -D__SCALAPACK \
  15. -D__ELPA \
  16. -D__LIBXSMM \
  17. -D__LIBXC \
  18. -D__SPGLIB \
  19. -D__ACC -D__DBCSR_ACC -D__PW_CUDA
  20. #
  21. INCS = -I/usr/include \
  22. -I/usr/include/elpa_openmp-$(_elpaver)/elpa \
  23. -I/usr/include/elpa_openmp-$(_elpaver)/modules \
  24. -I/opt/cuda/include
  25. #
  26. OPTFLAGS = -O3 -march=native -fopenmp -ftree-vectorize
  27. #
  28. CFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS)
  29. CXXFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) -std=c++11
  30. CPPFLAGS =
  31. FCFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) \
  32. -ffree-form -ffree-line-length-none
  33. NVFLAGS = $(DFLAGS) -O3 -Xcompiler="-fopenmp" \
  34. -gencode arch=compute_30,code=sm_30 \
  35. -gencode arch=compute_35,code=sm_35 \
  36. -gencode arch=compute_37,code=sm_37 \
  37. -gencode arch=compute_50,code=sm_50 \
  38. -gencode arch=compute_60,code=sm_60 \
  39. -gencode arch=compute_61,code=sm_61 \
  40. -gencode arch=compute_70,code=sm_70 \
  41. -gencode arch=compute_75,code=sm_75
  42. #
  43. LDFLAGS = $(FCFLAGS)
  44. #
  45. LIBS = -L/opt/cuda/lib64 -lcudart -lcuda \
  46. -lcublas -lcufft -lrt -lnvrtc \
  47. -lxsmmf -lxsmm \
  48. -lelpa_openmp -lscalapack -lblas -llapack \
  49. -lfftw3 -lfftw3_threads \
  50. /usr/lib/libint2.a \
  51. -lxcf03 -lxc \
  52. -lsymspg \
  53. -lstdc++ -lpthread -lm -ldl -lz
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