2024-02-25 17:40:43 +08:00
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# 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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2024-03-13 12:05:00 +08:00
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FC = mpiifx -qopenmp
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FCL = mpiifx
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2024-02-25 17:40:43 +08:00
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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_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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2024-03-12 18:44:22 +08:00
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CC_LIB = icx
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2024-02-25 17:40:43 +08:00
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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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2024-03-12 18:44:22 +08:00
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CXX_PARS = icpx
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2024-02-25 17:40:43 +08:00
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LLIBS = -lstdc++
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##
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## Customize as of this point! Of course you may change the preceding
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## part of this file as well if you like, but it should rarely be
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## necessary ...
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##
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# When compiling on the target machine itself, change this to the
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# relevant target when cross-compiling for another architecture
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VASP_TARGET_CPU ?= -x@oneapiArch@
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FFLAGS += $(VASP_TARGET_CPU)
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2024-05-13 18:44:51 +08:00
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# Intel MKL (FFTW, BLAS, LAPACK, and scaLAPACK)
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2024-02-25 17:40:43 +08:00
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# (Note: for Intel Parallel Studio's MKL use -mkl instead of -qmkl)
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FCL += -qmkl
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2024-05-13 18:44:51 +08:00
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MKLROOT ?= /path/to/your/mkl/installation
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2024-03-13 12:05:00 +08:00
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LLIBS += -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64
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2024-02-25 17:40:43 +08:00
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INCS =-I$(MKLROOT)/include/fftw
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# HDF5-support (optional but strongly recommended)
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CPP_OPTIONS+= -DVASP_HDF5
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LLIBS += -L$(HDF5_ROOT)/lib -lhdf5_fortran
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INCS += -I$(HDF5_ROOT)/include
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# For the VASP-2-Wannier90 interface (optional)
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CPP_OPTIONS += -DVASP2WANNIER90
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LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier
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# For the fftlib library (hardly any benefit in combination with MKL's FFTs)
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2024-05-13 18:44:51 +08:00
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#FCL = mpiifort fftlib.o -qmkl
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2024-02-25 17:40:43 +08:00
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#CXX_FFTLIB = icpc -qopenmp -std=c++11 -DFFTLIB_USE_MKL -DFFTLIB_THREADSAFE
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#INCS_FFTLIB = -I./include -I$(MKLROOT)/include/fftw
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#LIBS += fftlib
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