Created
December 12, 2017 08:17
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Makefile incluede for vasp 5.4.4, Arch:intel64, and Nvidia GPU
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# Precompiler options | |
CPP_OPTIONS= -DHOST=\"LinuxIFC\"\ | |
-DMPI -DMPI_BLOCK=8000 \ | |
-Duse_collective \ | |
-DscaLAPACK \ | |
-DCACHE_SIZE=4000 \ | |
-Davoidalloc \ | |
-Duse_bse_te \ | |
-Dtbdyn \ | |
-Duse_shmem | |
CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS) | |
FC = mpiifort | |
FCL = mpiifort -mkl=sequential -lstdc++ | |
FREE = -free -names lowercase | |
FFLAGS = -assume byterecl -w | |
OFLAG = -O2 | |
OFLAG_IN = $(OFLAG) | |
DEBUG = -O0 | |
MKL_PATH = $(MKLROOT)/lib/intel64 | |
BLAS = | |
LAPACK = | |
BLACS = -lmkl_blacs_intelmpi_lp64 | |
SCALAPACK = $(MKL_PATH)/libmkl_scalapack_lp64.a $(BLACS) | |
OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o | |
INCS =-I$(MKLROOT)/include/fftw | |
LLIBS = $(SCALAPACK) $(LAPACK) $(BLAS) | |
OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.o | |
OBJECTS_O2 += fft3dlib.o | |
# For what used to be vasp.5.lib | |
CPP_LIB = $(CPP) | |
FC_LIB = $(FC) | |
CC_LIB = icc | |
CFLAGS_LIB = -O | |
FFLAGS_LIB = -O1 | |
FREE_LIB = $(FREE) | |
OBJECTS_LIB= linpack_double.o getshmem.o | |
# For the parser library | |
CXX_PARS = icpc | |
LIBS += parser | |
LLIBS += -Lparser -lparser -lstdc++ | |
# Normally no need to change this | |
SRCDIR = ../../src | |
BINDIR = ../../bin | |
#================================================ | |
# GPU Stuff | |
CPP_GPU = -DCUDA_GPU -DRPROMU_CPROJ_OVERLAP -DUSE_PINNED_MEMORY -DCUFFT_MIN=28 -UscaLAPACK | |
OBJECTS_GPU = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d_gpu.o fftmpiw_gpu.o | |
CC = icc | |
CXX = icpc | |
CFLAGS = -fPIC -DADD_ -Wall -openmp -DMAGMA_WITH_MKL -DMAGMA_SETAFFINITY -DGPUSHMEM=300 -DHAVE_CUBLAS | |
CUDA_ROOT ?= /usr/local/cuda/ | |
NVCC := $(CUDA_ROOT)/bin/nvcc -ccbin=icc | |
CUDA_LIB := -L$(CUDA_ROOT)/lib64 -lnvToolsExt -lcudart -lcuda -lcufft -lcublas | |
GENCODE_ARCH := -gencode=arch=compute_30,code=\"sm_30,compute_30\" \ | |
-gencode=arch=compute_35,code=\"sm_35,compute_35\" \ | |
# -gencode=arch=compute_60,code=\"sm_60,compute_60\" | |
MPI_INC = $(I_MPI_ROOT)/include64/ |
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