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Makefile.include.linux nv acc

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# Precompiler options
CPP_OPTIONS= -DHOST=\"LinuxPGI\" \
             -DMPI -DMPI_BLOCK=8000 -DMPI_INPLACE -Duse_collective \
             -DscaLAPACK \
             -DCACHE_SIZE=4000 \
             -Davoidalloc \
             -Dvasp6 \
             -Duse_bse_te \
             -Dtbdyn \
             -Dqd_emulate \
             -Dfock_dblbuf \
             -D_OPENACC \
             -DUSENCCL -DUSENCCLP2P

CPP        = nvfortran -Mpreprocess -Mfree -Mextend -E $(CPP_OPTIONS) $*$(FUFFIX)  > $*$(SUFFIX)

FC         = mpif90 -acc -gpu=cc60,cc70,cc80,cuda11.0
FCL        = mpif90 -acc -gpu=cc60,cc70,cc80,cuda11.0 -c++libs

FREE       = -Mfree

FFLAGS     = -Mbackslash -Mlarge_arrays

OFLAG      = -fast

DEBUG      = -Mfree -O0 -traceback

# Specify your NV HPC-SDK installation, try to set NVROOT automatically
NVROOT     =$(shell which nvfortran | awk -F /compilers/bin/nvfortran '{ print $$1 }')
# ...or set NVROOT manually
#NVHPC      ?= /opt/nvidia/hpc_sdk
#NVVERSION  = 20.9
#NVROOT     = $(NVHPC)/Linux_x86_64/$(NVVERSION)

# Use NV HPC-SDK provided BLAS and LAPACK libraries
BLAS       = -lblas
LAPACK     = -llapack

BLACS      =
SCALAPACK  = -Mscalapack

CUDA       = -cudalib=cublas,cusolver,cufft,nccl -cuda

LLIBS      = $(SCALAPACK) $(LAPACK) $(BLAS) $(CUDA)

# Software emulation of quadruple precsion
QD         ?= $(NVROOT)/compilers/extras/qd
LLIBS      += -L$(QD)/lib -lqdmod -lqd
INCS       += -I$(QD)/include/qd

# Use the FFTs from fftw
FFTW       ?= /opt/gnu/fftw-3.3.6-pl2-GNU-5.4.0
LLIBS      += -L$(FFTW)/lib -lfftw3
INCS       += -I$(FFTW)/include

OBJECTS    = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o

# Redefine the standard list of O1 and O2 objects
SOURCE_O1  := pade_fit.o
SOURCE_O2  := pead.o

# For what used to be vasp.5.lib
CPP_LIB    = $(CPP)
FC_LIB     = nvfortran
CC_LIB     = nvc
CFLAGS_LIB = -O
FFLAGS_LIB = -O1 -Mfixed
FREE_LIB   = $(FREE)

OBJECTS_LIB= linpack_double.o getshmem.o

# For the parser library
CXX_PARS   = nvc++ --no_warnings

# Normally no need to change this
SRCDIR     = ../../src
BINDIR     = ../../bin

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