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https://github.com/CHN-beta/nixos.git
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54 lines
1.3 KiB
Plaintext
54 lines
1.3 KiB
Plaintext
# Default precompiler options
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CPP_OPTIONS = -DHOST=\"LinuxIFC\" \
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-DMPI -DMPI_BLOCK=8000 -Duse_collective \
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-DscaLAPACK \
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-DCACHE_SIZE=4000 \
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-Davoidalloc \
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-Dvasp6 \
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-Duse_bse_te \
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-Dtbdyn \
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-Dfock_dblbuf \
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-D_OPENMP -Duse_shmem -Dshmem_bcast_buffer -Dshmem_rproj
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CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS)
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FC = mpif90 -qopenmp
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FCL = mpif90
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FREE = -free -names lowercase
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FFLAGS = -assume byterecl -w
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# OFLAG = -O2
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OFLAG = -g
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OFLAG_IN = $(OFLAG)
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DEBUG = -O0
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OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o
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OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.o
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OBJECTS_O2 += fft3dlib.o
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# For what used to be vasp.5.lib
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CPP_LIB = $(CPP)
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FC_LIB = $(FC)
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CC_LIB = icx
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CFLAGS_LIB = -O
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FFLAGS_LIB = -O1
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FREE_LIB = $(FREE)
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OBJECTS_LIB = linpack_double.o getshmem.o
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# For the parser library
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CXX_PARS = icpx
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LLIBS = -lstdc++
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FCL += -qmkl
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LLIBS += -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_openmpi_lp64
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INCS =-I$(MKLROOT)/include/fftw
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CPP_OPTIONS+= -DVASP_HDF5
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LLIBS += -lhdf5_fortran
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CPP_OPTIONS += -DVASP2WANNIER90
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LLIBS += -lwannier
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