Requests for technical support from the VASP group should be posted in the VASP-forum.

Makefile.include.linux pgi acc

From Vaspwiki
Jump to navigationJump to search
# 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        = pgfortran -Mpreprocess -Mfree -Mextend -E $(CPP_OPTIONS) $*$(FUFFIX)  > $*$(SUFFIX)

FC         = mpif90 -acc -ta=tesla:cc60,cc70,cuda10.1
FCL        = mpif90 -acc -ta=tesla:cc60,cc70,cuda10.1 -pgc++libs

FREE       = -Mfree

FFLAGS     = -Mnoupcase -Mbackslash -Mlarge_arrays

OFLAG      = -fast

DEBUG      = -Mfree -O0 -traceback

# Use PGI provided BLAS and LAPACK libraries
BLAS       = -lblas
LAPACK     = -llapack

BLACS      =
SCALAPACK  = -Mscalapack

CUDA       = -Mcudalib=cublas -Mcudalib=cufft -Mcudalib=cusolver -Mcuda

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

NCCL       ?= /usr/lib/x86_64-linux-gnu
LLIBS      += -L$(NCCL) -lnccl

# Software emulation of quadruple precsion
QD         ?= /opt/pgi/qd-2.3.17-PGI-20.1/install
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     = pgfortran
CC_LIB     = pgcc
CFLAGS_LIB = -O
FFLAGS_LIB = -O1 -Mfixed
FREE_LIB   = $(FREE)

OBJECTS_LIB= linpack_double.o getshmem.o

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

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

Contents