Merge remote-tracking branch 'github/master' into move-convenience-functions (675cf20e) · Commits · 郑智淋 / lammps

doc/src/Manual_build.rst

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		@@ -51,7 +51,7 @@ b. You can build the HTML or PDF files yourself, by typing ``make html``
		A current version of the manual (latest patch release, aka unstable branch)
		is is available online at: `https://lammps.sandia.gov/doc/Manual.html <https://lammps.sandia.gov/doc/Manual.html>`_
		A version of the manual corresponding to the ongoing development
		(aka master branch) is available online at: `https://doc.lammps.org/ <https://doc.lammps.org/>`_
		(aka master branch) is available online at: `https://docs.lammps.org/ <https://docs.lammps.org/>`_

		----------

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		@@ -89,7 +89,6 @@ Miscellaneous tools
		:columns: 6

		* :ref:`CMake <cmake>`
		* :ref:`doxygen <doxygen>`
		* :ref:`emacs <emacs>`
		* :ref:`i-pi <ipi>`
		* :ref:`kate <kate>`
		@@ -254,21 +253,6 @@ The tool is authored by Xiaowang Zhou (Sandia), xzhou at sandia.gov.

		----------

		.. _doxygen:

		doxygen tool
		--------------------------

		The tools/doxygen directory contains a shell script called
		doxygen.sh which can generate a call graph and API lists using
		the `Doxygen software <http://doxygen.org>`_.

		See the included README file for details.

		The tool is authored by Nandor Tamaskovics, numericalfreedom at googlemail.com.

		----------

		.. _drude:

		drude tool

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		@@ -7,18 +7,40 @@

		EXTRAMAKE = Makefile.lammps.standard

		ifeq ($(CUDA_HOME),)
		CUDA_HOME = /usr/local/cuda
		endif

		NVCC = nvcc

		# Kepler CUDA
		#CUDA_ARCH = -arch=sm_35
		# Tesla CUDA
		CUDA_ARCH = -arch=sm_21
		# newer CUDA
		# obsolete hardware. not supported by current drivers anymore.
		#CUDA_ARCH = -arch=sm_13
		# older CUDA
		#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE

		# Fermi hardware
		#CUDA_ARCH = -arch=sm_20
		#CUDA_ARCH = -arch=sm_21

		# Kepler hardware
		#CUDA_ARCH = -arch=sm_30
		#CUDA_ARCH = -arch=sm_32
		#CUDA_ARCH = -arch=sm_35
		#CUDA_ARCH = -arch=sm_37

		# Maxwell hardware
		CUDA_ARCH = -arch=sm_50
		#CUDA_ARCH = -arch=sm_52

		# Pascal hardware
		#CUDA_ARCH = -arch=sm_60
		#CUDA_ARCH = -arch=sm_61

		# Volta hardware
		#CUDA_ARCH = -arch=sm_70

		# Turing hardware
		#CUDA_ARCH = -arch=sm_75

		# this setting should match LAMMPS Makefile
		# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL

		@@ -33,7 +55,7 @@ CUDA_PRECISION = -D_DOUBLE_DOUBLE

		CUDA_INCLUDE = -I$(CUDA_HOME)/include
		CUDA_LIB = -L$(CUDA_HOME)/lib64 -L$(CUDA_HOME)/lib64/stubs
		CUDA_OPTS = -DUNIX -O3 --use_fast_math
		CUDA_OPTS = -DUNIX -O3 --use_fast_math $(LMP_INC) -Xcompiler -fPIC

		CUDR_CPP = mpic++ -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK
		CUDR_OPTS = -O2 # -xHost -no-prec-div -ansi-alias

+29 −6

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		@@ -7,18 +7,41 @@

		EXTRAMAKE = Makefile.lammps.standard

		ifeq ($(CUDA_HOME),)
		CUDA_HOME = /usr/local/cuda
		endif

		NVCC = nvcc

		# Kepler CUDA
		#CUDA_ARCH = -arch=sm_35
		# Tesla CUDA
		CUDA_ARCH = -arch=sm_21
		# newer CUDA
		# obsolete hardware. not supported by current drivers anymore.
		#CUDA_ARCH = -arch=sm_13
		# older CUDA
		#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE

		# Fermi hardware
		#CUDA_ARCH = -arch=sm_20
		#CUDA_ARCH = -arch=sm_21

		# Kepler hardware
		#CUDA_ARCH = -arch=sm_30
		#CUDA_ARCH = -arch=sm_32
		#CUDA_ARCH = -arch=sm_35
		#CUDA_ARCH = -arch=sm_37

		# Maxwell hardware
		CUDA_ARCH = -arch=sm_50
		#CUDA_ARCH = -arch=sm_52

		# Pascal hardware
		#CUDA_ARCH = -arch=sm_60
		#CUDA_ARCH = -arch=sm_61

		# Volta hardware
		#CUDA_ARCH = -arch=sm_70

		# Turing hardware
		#CUDA_ARCH = -arch=sm_75

		# this setting should match LAMMPS Makefile
		# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL

		@@ -33,7 +56,7 @@ CUDA_PRECISION = -D_SINGLE_DOUBLE

		CUDA_INCLUDE = -I$(CUDA_HOME)/include
		CUDA_LIB = -L$(CUDA_HOME)/lib64 -L$(CUDA_HOME)/lib64/stubs
		CUDA_OPTS = -DUNIX -O3 --use_fast_math
		CUDA_OPTS = -DUNIX -O3 --use_fast_math $(LMP_INC) -Xcompiler -fPIC

		CUDR_CPP = mpic++ -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK
		CUDR_OPTS = -O2 # -xHost -no-prec-div -ansi-alias