Makefile.include.linux intel - Revision history

Ftran at 09:01, 20 October 2023

2023-10-20T09:01:13Z

← Older revision		Revision as of 09:01, 20 October 2023
Line 85:		Line 85:

	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:VASP]]		[[Category:VASP]]

Huebsch at 11:43, 20 January 2022

2022-01-20T11:43:30Z

← Older revision		Revision as of 11:43, 20 January 2022
Line 1:		Line 1:
			{{DISPLAYTITLE:makefile.include.linux_intel}}
	<pre>		<pre>
	# Precompiler options		# Precompiler options
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:VASP~~]][[Category:Installation]][[Category:Performance]][[Category:GPU~~]]		[[Category:VASP]]

Vaspmaster at 12:39, 20 January 2021

2021-01-20T12:39:20Z

← Older revision		Revision as of 12:39, 20 January 2021
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	LLIBS = $(SCALAPACK) $(LAPACK) $(BLAS)		LLIBS = $(SCALAPACK) $(LAPACK) $(BLAS)


	OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.o		OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.o
Line 68:		Line 67:
	CFLAGS = -fPIC -DADD_ -Wall -qopenmp -DMAGMA_WITH_MKL -DMAGMA_SETAFFINITY -DGPUSHMEM=300 -DHAVE_CUBLAS		CFLAGS = -fPIC -DADD_ -Wall -qopenmp -DMAGMA_WITH_MKL -DMAGMA_SETAFFINITY -DGPUSHMEM=300 -DHAVE_CUBLAS

			# Minimal requirement is CUDA >= 10.X. For "sm_80" you need CUDA >= 11.X.
	CUDA_ROOT ?= /usr/local/cuda/		CUDA_ROOT ?= /usr/local/cuda/
	NVCC := $(CUDA_ROOT)/bin/nvcc -ccbin=icc		NVCC := $(CUDA_ROOT)/bin/nvcc -ccbin=icc -allow-unsupported-compiler
	CUDA_LIB := -L$(CUDA_ROOT)/lib64 -lnvToolsExt -lcudart -lcuda -lcufft -lcublas		CUDA_LIB := -L$(CUDA_ROOT)/lib64 -lnvToolsExt -lcudart -lcuda -lcufft -lcublas

	GENCODE_ARCH := ~~-gencode=arch=compute_30,code=\"sm_30,compute_30\" \~~		GENCODE_ARCH := -gencode=arch=compute_60,code=\"sm_60,compute_60\" \
	~~-gencode=arch=compute_35,code=\"sm_35,compute_35\" \~~
	-gencode=arch=compute_60,code=\"sm_60,compute_60\" \
	-gencode=arch=compute_70,code=\"sm_70,compute_70\" \		-gencode=arch=compute_70,code=\"sm_70,compute_70\" \
	-gencode=arch=~~compute_72~~,code=\"~~sm_72~~,~~compute_72~~\"		-gencode=arch=compute_80,code=\"sm_80,compute_80\"

			## For all legacy Intel MPI versions (before 2021)
			#MPI_INC = $(I_MPI_ROOT)/intel64/include/

	MPI_INC = $(I_MPI_ROOT)/~~include64~~/		# Or when you are using the Intel oneAPI compiler suite
			MPI_INC = $(I_MPI_ROOT)/include/
	</pre>		</pre>

Vaspmaster at 14:41, 30 January 2020

2020-01-30T14:41:20Z

← Older revision		Revision as of 14:41, 30 January 2020
Line 82:		Line 82:

	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	~~[[Category:VASP]][[Category:Installation]]----~~
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:VASP]][[Category:Installation]][[Category:Performance]][[Category:GPU]]		[[Category:VASP]][[Category:Installation]][[Category:Performance]][[Category:GPU]]

Vaspmaster at 14:40, 30 January 2020

2020-01-30T14:40:55Z

← Older revision		Revision as of 14:40, 30 January 2020
Line 80:		Line 80:
	MPI_INC = $(I_MPI_ROOT)/include64/		MPI_INC = $(I_MPI_ROOT)/include64/
	</pre>		</pre>

			----
			[[The_VASP_Manual\|Contents]]

			[[Category:VASP]][[Category:Installation]]----
			[[The_VASP_Manual\|Contents]]

			[[Category:VASP]][[Category:Installation]][[Category:Performance]][[Category:GPU]]

Vaspmaster at 14:37, 30 January 2020

2020-01-30T14:37:40Z

← Older revision		Revision as of 14:37, 30 January 2020
Line 1:		Line 1:
	<pre>		<pre>
	# Precompiler options		# Precompiler options
	CPP_OPTIONS= ~~-DMPI~~ -DHOST=\"~~IFC91_ompi~~\" -~~DIFC~~ \		CPP_OPTIONS= -DHOST=\"LinuxIFC\"\
	-DCACHE_SIZE=4000 ~~-DPGF90~~ -Davoidalloc \		-DMPI -DMPI_BLOCK=8000 -Duse_collective \
	-~~DMPI_BLOCK=8000 -DscaLAPACK -Duse_collective~~ \		-DscaLAPACK \
			-DCACHE_SIZE=4000 \
			-Davoidalloc \
			-Dvasp6 \
	-Duse_bse_te \		-Duse_bse_te \
	-Dtbdyn		-Dtbdyn \
			-Dfock_dblbuf

	CPP = fpp -f_com=no -free -w0 $$(FUFFIX) $$(SUFFIX) $(CPP_OPTIONS)		CPP = fpp -f_com=no -free -w0 $$(FUFFIX) $$(SUFFIX) $(CPP_OPTIONS)

	FC = mpiifort		FC = mpiifort
	FCL = mpiifort -mkl		FCL = mpiifort -mkl=sequential

	FREE = -free -names lowercase		FREE = -free -names lowercase

	FFLAGS = -assume byterecl		FFLAGS = -assume byterecl -w -xHOST
	OFLAG = -O2		OFLAG = -O2
	OFLAG_IN = $(OFLAG)		OFLAG_IN = $(OFLAG)
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	SCALAPACK = $(MKL_PATH)/libmkl_scalapack_lp64.a $(BLACS)		SCALAPACK = $(MKL_PATH)/libmkl_scalapack_lp64.a $(BLACS)

	OBJECTS = fftmpiw.o fftmpi_map.o ~~fftw3d~~.o ~~fft3dlib~~.o \		OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o
	~~$(MKLROOT)/interfaces/fftw3xf/libfftw3xf_intel.a~~
	INCS =-I$(MKLROOT)/include/fftw		INCS =-I$(MKLROOT)/include/fftw

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

	OBJECTS_O1 += ~~fft3dfurth.o~~ fftw3d.o fftmpi.o fftmpiw.o
			OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.o
	OBJECTS_O2 += fft3dlib.o		OBJECTS_O2 += fft3dlib.o

Line 43:		Line 48:

	OBJECTS_LIB= linpack_double.o getshmem.o		OBJECTS_LIB= linpack_double.o getshmem.o

			# For the parser library
			CXX_PARS = icpc
			LLIBS += -lstdc++

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

			#================================================
			# GPU Stuff

			CPP_GPU = -DCUDA_GPU -DRPROMU_CPROJ_OVERLAP -DUSE_PINNED_MEMORY -DCUFFT_MIN=28 -UscaLAPACK -Ufock_dblbuf

			OBJECTS_GPU= fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d_gpu.o fftmpiw_gpu.o

			CC = icc
			CXX = icpc
			CFLAGS = -fPIC -DADD_ -Wall -qopenmp -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\" \
			-gencode=arch=compute_70,code=\"sm_70,compute_70\" \
			-gencode=arch=compute_72,code=\"sm_72,compute_72\"

			MPI_INC = $(I_MPI_ROOT)/include64/
	</pre>		</pre>

Kaltakm at 11:04, 26 August 2019

2019-08-26T11:04:23Z

← Older revision		Revision as of 11:04, 26 August 2019
Line 5:		Line 5:
	-DMPI_BLOCK=8000 -DscaLAPACK -Duse_collective \		-DMPI_BLOCK=8000 -DscaLAPACK -Duse_collective \
	-Duse_bse_te \		-Duse_bse_te \
	~~-Duse_shmem~~ -Dtbdyn		-Dtbdyn

	CPP = fpp -f_com=no -free -w0 $$(FUFFIX) $$(SUFFIX) $(CPP_OPTIONS)		CPP = fpp -f_com=no -free -w0 $$(FUFFIX) $$(SUFFIX) $(CPP_OPTIONS)

Vaspmaster at 14:23, 15 September 2017

2017-09-15T14:23:59Z

← Older revision		Revision as of 14:23, 15 September 2017
Line 4:		Line 4:
	-DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \		-DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \
	-DMPI_BLOCK=8000 -DscaLAPACK -Duse_collective \		-DMPI_BLOCK=8000 -DscaLAPACK -Duse_collective \
	~~-DnoAugXCmeta~~ -Duse_bse_te \		-Duse_bse_te \
	-Duse_shmem -Dtbdyn		-Duse_shmem -Dtbdyn

Vaspmaster at 12:59, 8 July 2015

2015-07-08T12:59:14Z

← Older revision		Revision as of 12:59, 8 July 2015
Line 9:		Line 9:
	CPP = fpp -f_com=no -free -w0 $$(FUFFIX) $$(SUFFIX) $(CPP_OPTIONS)		CPP = fpp -f_com=no -free -w0 $$(FUFFIX) $$(SUFFIX) $(CPP_OPTIONS)

	FC = ~~mpif90~~		FC = mpiifort
	FCL = ~~mpif90~~ -mkl		FCL = mpiifort -mkl

	FREE = -free -names lowercase		FREE = -free -names lowercase
Line 22:		Line 22:
	BLAS =		BLAS =
	LAPACK =		LAPACK =
	BLACS = -~~lmkl_blacs_openmpi_lp64~~		BLACS = -lmkl_blacs_intelmpi_lp64
	SCALAPACK = $(MKL_PATH)/libmkl_scalapack_lp64.a $(BLACS)		SCALAPACK = $(MKL_PATH)/libmkl_scalapack_lp64.a $(BLACS)

Vaspmaster: Created page with "

 # Precompiler options CPP_OPTIONS= -DMPI -DHOST=\"IFC91_ompi\" -DIFC \              -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \              -DMPI_BLOCK=8000 -DscaLAPACK -D..."

2015-06-29T11:20:32Z

Created page with "<pre> # Precompiler options CPP_OPTIONS= -DMPI -DHOST=\"IFC91_ompi\" -DIFC \ -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \ -DMPI_BLOCK=8000 -DscaLAPACK -D..."

New page

<pre>
# Precompiler options
CPP_OPTIONS= -DMPI -DHOST=\"IFC91_ompi\" -DIFC \
-DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \
-DMPI_BLOCK=8000 -DscaLAPACK -Duse_collective \
-DnoAugXCmeta -Duse_bse_te \
-Duse_shmem -Dtbdyn

CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS)

FC = mpif90
FCL = mpif90 -mkl

FREE = -free -names lowercase

FFLAGS = -assume byterecl
OFLAG = -O2
OFLAG_IN = $(OFLAG)
DEBUG = -O0

MKL_PATH = $(MKLROOT)/lib/intel64
BLAS =
LAPACK =
BLACS = -lmkl_blacs_openmpi_lp64
SCALAPACK = $(MKL_PATH)/libmkl_scalapack_lp64.a $(BLACS)

OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o \
$(MKLROOT)/interfaces/fftw3xf/libfftw3xf_intel.a
INCS =-I$(MKLROOT)/include/fftw

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

OBJECTS_O1 += fft3dfurth.o 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

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