diff --git a/src/MAKE/MACHINES/Makefile.altix b/src/MAKE/MACHINES/Makefile.altix index 3dbccb4ab4..f29281259a 100644 --- a/src/MAKE/MACHINES/Makefile.altix +++ b/src/MAKE/MACHINES/Makefile.altix @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -lmpi -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ FFT_INC = -DFFT_SCSL FFT_PATH = FFT_LIB = -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.beacon b/src/MAKE/MACHINES/Makefile.beacon index 98e816a430..b949cdd62a 100755 --- a/src/MAKE/MACHINES/Makefile.beacon +++ b/src/MAKE/MACHINES/Makefile.beacon @@ -22,18 +22,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -42,8 +44,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -53,8 +55,8 @@ FFT_INC = -DFFT_MKL -DFFT_SINGLE -I$(MKLROOT) FFT_PATH = FFT_LIB = -L$(MKLROOT) -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -66,7 +68,7 @@ JPG_LIB = -ljpeg # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.bgl b/src/MAKE/MACHINES/Makefile.bgl index a0a227dfd6..767f754516 100644 --- a/src/MAKE/MACHINES/Makefile.bgl +++ b/src/MAKE/MACHINES/Makefile.bgl @@ -27,18 +27,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -47,8 +49,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -lmpich.rts -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -58,8 +60,8 @@ FFT_INC = -DFFT_FFTW FFT_PATH = FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -71,7 +73,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.chama b/src/MAKE/MACHINES/Makefile.chama index 5135288685..da0a432819 100644 --- a/src/MAKE/MACHINES/Makefile.chama +++ b/src/MAKE/MACHINES/Makefile.chama @@ -1,4 +1,4 @@ -# chama - Intel sandybridge with dual socket/eight core nodes, mpic++, openmpi, no FFTW +# chama - Intel SandyBridge, mpic++, openmpi, no FFTW # need to load the following modules: # 1) intel/12.1 @@ -21,18 +21,20 @@ ARFLAGS = -rcsv SIZE = size # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ MPI_LIB = #FFT_PATH = -L${FFTW_LIB} #FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.cygwin b/src/MAKE/MACHINES/Makefile.cygwin index 0677cdf4bc..eaa7d9c1a3 100644 --- a/src/MAKE/MACHINES/Makefile.cygwin +++ b/src/MAKE/MACHINES/Makefile.cygwin @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = -L/cygdrive/c/cygwin/mpich2-1.0.4p1/lib MPI_LIB = -lmpich -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ FFT_INC = -DFFT_FFTW -I/cygdrive/c/cygwin/usr/local/include FFT_PATH = -L/cygdrive/c/cygwin/usr/local/lib FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.encanto b/src/MAKE/MACHINES/Makefile.encanto index 9d0e92b871..74afcfef25 100644 --- a/src/MAKE/MACHINES/Makefile.encanto +++ b/src/MAKE/MACHINES/Makefile.encanto @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -lmpich -lpthread -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ FFT_INC = -DFFT_FFTW -I/home/jlane/fftw-2.1.5/fftw FFT_PATH = -L/home/jlane/fftw-2.1.5/fftw/.libs FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.fink b/src/MAKE/MACHINES/Makefile.fink index ef36186e6d..f17a3a7580 100644 --- a/src/MAKE/MACHINES/Makefile.fink +++ b/src/MAKE/MACHINES/Makefile.fink @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi_stubs -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ FFT_INC = -DFFT_FFTW -I/sw/include FFT_PATH = -L/sw/lib FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.glory b/src/MAKE/MACHINES/Makefile.glory index 3a6f5872ce..db6d820f4f 100644 --- a/src/MAKE/MACHINES/Makefile.glory +++ b/src/MAKE/MACHINES/Makefile.glory @@ -38,18 +38,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -58,8 +60,8 @@ MPI_INC = MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in doc/SSection 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -69,8 +71,8 @@ FFT_INC = -DFFT_FFTW -I${FFTW_INCLUDE} FFT_PATH = -L${FFTW_LIB} FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -82,7 +84,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.jaguar b/src/MAKE/MACHINES/Makefile.jaguar index c6282d3cf2..3b20f57ca8 100644 --- a/src/MAKE/MACHINES/Makefile.jaguar +++ b/src/MAKE/MACHINES/Makefile.jaguar @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -DNODE_PARTITION -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -lmpich -lpthread -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ FFT_INC = -DFFT_FFTW3 -I$(FFTW_INC) FFT_PATH = -L$(FFTW_DIR) FFT_LIB = -lfftw3 -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.mac b/src/MAKE/MACHINES/Makefile.mac index 52def3fbe5..4983112989 100755 --- a/src/MAKE/MACHINES/Makefile.mac +++ b/src/MAKE/MACHINES/Makefile.mac @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi_stubs -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ FFT_INC = -DFFT_FFTW FFT_PATH = FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.mac_mpi b/src/MAKE/MACHINES/Makefile.mac_mpi index f830030245..406824619a 100755 --- a/src/MAKE/MACHINES/Makefile.mac_mpi +++ b/src/MAKE/MACHINES/Makefile.mac_mpi @@ -22,18 +22,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -DQUIP_GFORTRAN -DLAMMPS_JPEG -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -42,8 +44,8 @@ MPI_INC = -DOMPI_SKIP_MPICXX MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -55,8 +57,8 @@ FFT_INC = -DFFT_FFTW -I${FFTW}/include FFT_PATH = -L${FFTW}/lib FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -68,7 +70,7 @@ JPG_LIB = -ljpeg # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.mingw32-cross b/src/MAKE/MACHINES/Makefile.mingw32-cross index 1d3305d8a4..40be78b822 100644 --- a/src/MAKE/MACHINES/Makefile.mingw32-cross +++ b/src/MAKE/MACHINES/Makefile.mingw32-cross @@ -1,4 +1,4 @@ -# mingw32-cross = Windows 32-bit, cross-compiled on Fedora 18, gcc-4.7.1, MinGW, internal FFT, no MPI, OpenMP +# mingw32-cross = Win 32-bit, gcc-4.7.1, MinGW, internal FFT, no MPI, OpenMP SHELL = /bin/sh @@ -26,18 +26,20 @@ SHLIBFLAGS = -shared LIBOBJDIR = /Obj_mingw32 # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_SMALLSMALL -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_GZIP -DLAMMPS_FFMPEG -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -46,8 +48,8 @@ MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi_mingw32 -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -57,8 +59,8 @@ FFT_INC = FFT_PATH = FFT_LIB = -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -70,7 +72,7 @@ JPG_LIB = -ljpeg -lpng -lz # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.mingw32-cross-mpi b/src/MAKE/MACHINES/Makefile.mingw32-cross-mpi index 82694c0e40..1b040fe167 100644 --- a/src/MAKE/MACHINES/Makefile.mingw32-cross-mpi +++ b/src/MAKE/MACHINES/Makefile.mingw32-cross-mpi @@ -1,4 +1,4 @@ -# mingw32-cross-mpi = Windows 32-bit, cross-compiled on Fedora 18, gcc-4.7.1, MinGW, internal FFT, MPICH2, OpenMP +# mingw32-cross-mpi = Win 32-bit, gcc-4.7.1, MinGW, internal FFT, MPICH2, OpenMP SHELL = /bin/sh @@ -26,18 +26,20 @@ SHLIBFLAGS = -shared LIBOBJDIR = /Obj_mingw32-mpi # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_SMALLSMALL -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_GZIP -DLAMMPS_FFMPEG -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -46,8 +48,8 @@ MPI_INC = -I../../tools/mingw-cross/mpich2-win32/include MPI_PATH = -L../../tools/mingw-cross/mpich2-win32/lib MPI_LIB = -lmpi -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -57,8 +59,8 @@ FFT_INC = FFT_PATH = FFT_LIB = -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -70,7 +72,7 @@ JPG_LIB = -ljpeg -lpng -lz # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.mingw64-cross b/src/MAKE/MACHINES/Makefile.mingw64-cross index 143566764d..1c7aae634a 100644 --- a/src/MAKE/MACHINES/Makefile.mingw64-cross +++ b/src/MAKE/MACHINES/Makefile.mingw64-cross @@ -1,4 +1,4 @@ -# mingw64-cross = Windows 64-bit, cross-compiled on Fedora 18, gcc-4.7.1, MinGW, internal FFT, no MPI, OpenMP +# mingw64-cross = Win 64-bit, gcc-4.7.1, MinGW, internal FFT, no MPI, OpenMP SHELL = /bin/sh @@ -26,18 +26,20 @@ SHLIBFLAGS = -shared LIBOBJDIR = /Obj_mingw64 # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_SMALLBIG -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_GZIP -DLAMMPS_FFMPEG -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -46,8 +48,8 @@ MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi_mingw64 -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -57,8 +59,8 @@ FFT_INC = FFT_PATH = FFT_LIB = -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -70,7 +72,7 @@ JPG_LIB = -ljpeg -lpng -lz # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.mingw64-cross-mpi b/src/MAKE/MACHINES/Makefile.mingw64-cross-mpi index ce110ddc30..0999f32708 100644 --- a/src/MAKE/MACHINES/Makefile.mingw64-cross-mpi +++ b/src/MAKE/MACHINES/Makefile.mingw64-cross-mpi @@ -1,4 +1,4 @@ -# mingw64-cross-mpi = Windows 64-bit, cross-compiled on Fedora 18, gcc-4.7.1, MinGW, internal FFT, MPICH2, OpenMP +# mingw64-cross-mpi = Win 64-bit, gcc-4.7.1, MinGW, internal FFT, MPICH2, OpenMP SHELL = /bin/sh @@ -26,18 +26,20 @@ SHLIBFLAGS = -shared LIBOBJDIR = /Obj_mingw64-mpi # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_SMALLBIG -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_GZIP -DLAMMPS_FFMPEG -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -46,8 +48,8 @@ MPI_INC = -I../../tools/mingw-cross/mpich2-win64/include MPI_PATH = -L../../tools/mingw-cross/mpich2-win64/lib MPI_LIB = -lmpi -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -57,8 +59,8 @@ FFT_INC = FFT_PATH = FFT_LIB = -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -70,7 +72,7 @@ JPG_LIB = -ljpeg -lpng -lz # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.mkl b/src/MAKE/MACHINES/Makefile.mkl index b0f7ad2153..2aab656da7 100644 --- a/src/MAKE/MACHINES/Makefile.mkl +++ b/src/MAKE/MACHINES/Makefile.mkl @@ -27,18 +27,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -47,8 +49,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -mt_mpi -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -58,8 +60,8 @@ FFT_INC = -DFFT_FFTW -I/opt/intel/mkl/10.0.011/include/fftw FFT_PATH = FFT_LIB = /opt/intel/mkl/10.0.011/lib/em64t/libfftw2xc_intel.a -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -71,7 +73,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.odin b/src/MAKE/MACHINES/Makefile.odin index 11fbd64903..f4dbfff285 100755 --- a/src/MAKE/MACHINES/Makefile.odin +++ b/src/MAKE/MACHINES/Makefile.odin @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = -I/opt/mpich-mx/include MPI_PATH = -L/opt/mpich-mx/lib -L/opt/mx/lib MPI_LIB = -lmpich -lmyriexpress -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ FFT_INC = -DFFT_NONE FFT_PATH = FFT_LIB = -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.power5 b/src/MAKE/MACHINES/Makefile.power5 index 353c49b624..b7a6e672fc 100644 --- a/src/MAKE/MACHINES/Makefile.power5 +++ b/src/MAKE/MACHINES/Makefile.power5 @@ -22,18 +22,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -42,8 +44,8 @@ MPI_INC = MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -53,8 +55,8 @@ FFT_INC = -DFFT_FFTW -I/scr/oppe/LAMMPS/fftw-2.1.5/include FFT_PATH = -L/scr/oppe/LAMMPS/fftw-2.1.5/lib FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -66,7 +68,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.qed b/src/MAKE/MACHINES/Makefile.qed index d13d15d87a..7ce9922b6b 100644 --- a/src/MAKE/MACHINES/Makefile.qed +++ b/src/MAKE/MACHINES/Makefile.qed @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = -I/usr/local/mpich-1.2.6-eth/include MPI_PATH = -L/usr/local/mpich-1.2.6-eth/lib MPI_LIB = -lmpich -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ FFT_INC = -DFFT_NONE FFT_PATH = FFT_LIB = -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.redsky b/src/MAKE/MACHINES/Makefile.redsky index 3c2fd0d31d..bf353d8be2 100644 --- a/src/MAKE/MACHINES/Makefile.redsky +++ b/src/MAKE/MACHINES/Makefile.redsky @@ -1,4 +1,4 @@ -# redsky - SUN X6275 nodes, dual socket/quad core 2.93 GHz Nehalem processors, mpic++, openmpi, OpenMP, no FFTW +# redsky - SUN X6275 nodes, Nehalem procs, mpic++, openmpi, OpenMP, no FFTW SHELL = /bin/sh @@ -41,18 +41,20 @@ ARFLAGS = -rcsv SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -61,8 +63,8 @@ MPI_INC = MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in doc/SSection 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -72,8 +74,8 @@ MPI_LIB = #FFT_PATH = -L${FFTW_LIB} #FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -85,7 +87,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.sdsc b/src/MAKE/MACHINES/Makefile.sdsc index 4257fea358..911ae04c5f 100644 --- a/src/MAKE/MACHINES/Makefile.sdsc +++ b/src/MAKE/MACHINES/Makefile.sdsc @@ -26,18 +26,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -DLAMMPS_XDR -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -46,8 +48,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -lmpich.rts -lmsglayer.rts -lrts.rts -ldevices.rts -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -57,8 +59,8 @@ FFT_INC = -DFFT_FFTW -I//usr/local/apps/V1R3/fftw-2.1.5d/include FFT_PATH = -L/usr/local/apps/V1R3/fftw-2.1.5d/lib FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -70,7 +72,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.seaborg b/src/MAKE/MACHINES/Makefile.seaborg index 5065136d0d..1f975c3da7 100644 --- a/src/MAKE/MACHINES/Makefile.seaborg +++ b/src/MAKE/MACHINES/Makefile.seaborg @@ -22,18 +22,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -42,8 +44,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -lmpich -lpthread -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -53,8 +55,8 @@ FFT_INC = -DFFT_FFTW -I/usr/common/usg/fftw/2.1.5/include FFT_PATH = -L/usr/common/usg/fftw/2.1.5/lib FFT_LIB = -lfftw -lfftw_mpi -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -66,7 +68,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.serial b/src/MAKE/MACHINES/Makefile.serial index 9c2935584f..b69337fb63 100755 --- a/src/MAKE/MACHINES/Makefile.serial +++ b/src/MAKE/MACHINES/Makefile.serial @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi_stubs -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ FFT_INC = FFT_PATH = FFT_LIB = -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.sgi b/src/MAKE/MACHINES/Makefile.sgi index bc09561b91..dd05b1a0ae 100644 --- a/src/MAKE/MACHINES/Makefile.sgi +++ b/src/MAKE/MACHINES/Makefile.sgi @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ FFT_INC = -DFFT_SCSL FFT_PATH = FFT_LIB = -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.solaris b/src/MAKE/MACHINES/Makefile.solaris index e458d12fda..273288ca4b 100644 --- a/src/MAKE/MACHINES/Makefile.solaris +++ b/src/MAKE/MACHINES/Makefile.solaris @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi_stubs -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ FFT_INC = -DFFT_NONE FFT_PATH = FFT_LIB = -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.spirit b/src/MAKE/MACHINES/Makefile.spirit index e3dd404c8a..7ceae686a6 100644 --- a/src/MAKE/MACHINES/Makefile.spirit +++ b/src/MAKE/MACHINES/Makefile.spirit @@ -27,18 +27,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -47,8 +49,8 @@ MPI_INC = MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -60,8 +62,8 @@ FFT_INC = -DFFT_FFTW -I$(FFTW)/include FFT_PATH = -L$(FFTW)/lib FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -73,7 +75,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.stampede b/src/MAKE/MACHINES/Makefile.stampede index d7247c5807..4f95012c85 100755 --- a/src/MAKE/MACHINES/Makefile.stampede +++ b/src/MAKE/MACHINES/Makefile.stampede @@ -22,18 +22,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -42,8 +44,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -53,8 +55,8 @@ FFT_INC = -DFFT_MKL -DFFT_SINGLE -I$(TACC_MKL_INC) FFT_PATH = FFT_LIB = -L$(TACC_MKL_LIB) -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -66,7 +68,7 @@ JPG_LIB = -ljpeg # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.storm b/src/MAKE/MACHINES/Makefile.storm index 67039fe60c..7511b014a4 100644 --- a/src/MAKE/MACHINES/Makefile.storm +++ b/src/MAKE/MACHINES/Makefile.storm @@ -22,18 +22,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -42,8 +44,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -53,8 +55,8 @@ FFT_INC = -DFFT_FFTW -I/projects/fftw/fftw-2.1.5/include FFT_PATH = FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -66,7 +68,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.tacc b/src/MAKE/MACHINES/Makefile.tacc index 63d0fbe5fa..bfe433d74b 100644 --- a/src/MAKE/MACHINES/Makefile.tacc +++ b/src/MAKE/MACHINES/Makefile.tacc @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -lmpich -lpthread -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -55,8 +57,8 @@ FFT_INC = -DFFT_FFTW -I${FFTW_INC} FFT_PATH = -L${FFTW_LIB} FFT_LIB = ${FFTW_LIB}/libfftw.a -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -68,7 +70,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.tbird b/src/MAKE/MACHINES/Makefile.tbird index 200a121032..cb201fc826 100644 --- a/src/MAKE/MACHINES/Makefile.tbird +++ b/src/MAKE/MACHINES/Makefile.tbird @@ -40,18 +40,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -60,8 +62,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -lmpich -lpthread -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in doc/SSection 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -71,8 +73,8 @@ FFT_INC = -DFFT_FFTW -I$(FFTW_INCLUDE) FFT_PATH = FFT_LIB = $(BLASLIB) $(FFTW_LINK_LINE) -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -84,7 +86,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.tesla b/src/MAKE/MACHINES/Makefile.tesla index 29062a0989..128f5ed792 100755 --- a/src/MAKE/MACHINES/Makefile.tesla +++ b/src/MAKE/MACHINES/Makefile.tesla @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi_stubs -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ FFT_INC = -DFFT_SGI FFT_PATH = FFT_LIB = -lcomplib.sgimath -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.tunnison b/src/MAKE/MACHINES/Makefile.tunnison index 94e821922e..0e4b23c9dd 100644 --- a/src/MAKE/MACHINES/Makefile.tunnison +++ b/src/MAKE/MACHINES/Makefile.tunnison @@ -31,18 +31,20 @@ ARFLAGS = -rcsv SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -51,8 +53,8 @@ MPI_INC = MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -62,8 +64,8 @@ FFT_INC = -DFFT_FFTW -I$(FFTW_INCLUDE) FFT_PATH = -L$(FFTW_LIB) FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -75,7 +77,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.ubuntu b/src/MAKE/MACHINES/Makefile.ubuntu index 3d2bf07033..2e234e88c3 100644 --- a/src/MAKE/MACHINES/Makefile.ubuntu +++ b/src/MAKE/MACHINES/Makefile.ubuntu @@ -25,18 +25,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_FFMPEG -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -45,8 +47,8 @@ MPI_INC = MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -56,8 +58,8 @@ FFT_INC = -DFFT_FFTW3 FFT_PATH = FFT_LIB = -lfftw3 -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -69,7 +71,7 @@ JPG_LIB = -ljpeg -lpng # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.ubuntu_simple b/src/MAKE/MACHINES/Makefile.ubuntu_simple index c74e5da952..7a3767cba1 100644 --- a/src/MAKE/MACHINES/Makefile.ubuntu_simple +++ b/src/MAKE/MACHINES/Makefile.ubuntu_simple @@ -24,18 +24,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -44,8 +46,8 @@ MPI_INC = MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -55,8 +57,8 @@ FFT_INC = FFT_PATH = FFT_LIB = -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -68,7 +70,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.xe6 b/src/MAKE/MACHINES/Makefile.xe6 index 778297d29c..1d37a7f772 100644 --- a/src/MAKE/MACHINES/Makefile.xe6 +++ b/src/MAKE/MACHINES/Makefile.xe6 @@ -22,18 +22,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -42,8 +44,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -53,8 +55,8 @@ FFT_INC = -DFFT_FFTW -I/home/sjplimp/fftw/fftw FFT_PATH = -L/home/sjplimp/fftw/fftw/.libs FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -66,7 +68,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.xt3 b/src/MAKE/MACHINES/Makefile.xt3 index 0b23c824d8..bec9319757 100644 --- a/src/MAKE/MACHINES/Makefile.xt3 +++ b/src/MAKE/MACHINES/Makefile.xt3 @@ -23,18 +23,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -DLAMMPS_XDR -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -43,8 +45,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -lmpich -lpthread -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -54,8 +56,8 @@ FFT_INC = -DFFT_FFTW -I$(FFTW_INC) FFT_PATH = -L$(FFTW_LIB) FFT_LIB = -ldfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -67,7 +69,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/MACHINES/Makefile.xt5 b/src/MAKE/MACHINES/Makefile.xt5 index 0965cb13ec..f87c4ebe22 100644 --- a/src/MAKE/MACHINES/Makefile.xt5 +++ b/src/MAKE/MACHINES/Makefile.xt5 @@ -22,18 +22,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -42,8 +44,8 @@ MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -53,8 +55,8 @@ FFT_INC = -DFFT_FFTW -I/home/sjplimp/fftw/fftw FFT_PATH = -L/home/sjplimp/fftw/fftw/.libs FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -66,7 +68,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/OPTIONS/Makefile.pgi b/src/MAKE/OPTIONS/Makefile.pgi index 879cd428a0..7268037be7 100644 --- a/src/MAKE/OPTIONS/Makefile.pgi +++ b/src/MAKE/OPTIONS/Makefile.pgi @@ -1,4 +1,4 @@ -# pgi = Portland Group compiler, pgCC, MPICH, FFTW +# pgi = Portland Group compiler pgCC, MPICH, FFTW SHELL = /bin/sh @@ -7,12 +7,12 @@ SHELL = /bin/sh # specify flags and libraries needed for your compiler CC = pgCC -CCFLAGS = -fast +CCFLAGS = -g -fast SHFLAGS = -fPIC DEPFLAGS = -M LINK = pgCC -LINKFLAGS = +LINKFLAGS = -g LIB = #LIB = -lstdc++ SIZE = size @@ -22,18 +22,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -42,8 +44,8 @@ MPI_INC = -I/usr/local/mpich-1.2.6/pg/include MPI_PATH = -L/usr/local/mpich-1.2.6/pg/lib MPI_LIB = -lmpich -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -53,8 +55,8 @@ FFT_INC = -DFFT_FFTW FFT_PATH = FFT_LIB = -lfftw -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -66,7 +68,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package diff --git a/src/MAKE/OPTIONS/Makefile.serial_icc b/src/MAKE/OPTIONS/Makefile.serial_icc index 342368896a..5d0928ad7e 100755 --- a/src/MAKE/OPTIONS/Makefile.serial_icc +++ b/src/MAKE/OPTIONS/Makefile.serial_icc @@ -1,4 +1,4 @@ -# icc_serial = icc compiler, no MPI +# serial_icc = icc compiler, no MPI SHELL = /bin/sh @@ -21,18 +21,20 @@ ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- -# LAMMPS-specific settings +# LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) +# LAMMPS ifdef settings +# see possible settings in Section 2.2 (step 4) of manual LMP_INC = -DLAMMPS_GZIP -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) +# MPI library +# see discussion in Section 2.2 (step 5) of manual +# MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial +# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library @@ -41,8 +43,8 @@ MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi_stubs -# FFT library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 6) +# FFT library +# see discussion in Section 2.2 (step 6) of manaul # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # PATH = path for FFT library @@ -52,8 +54,8 @@ FFT_INC = FFT_PATH = FFT_LIB = -# JPEG and/or PNG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) +# JPEG and/or PNG library +# see discussion in doc/SSection 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library @@ -65,7 +67,7 @@ JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies -# no need to edit this section +# do not edit this section include Makefile.package.settings include Makefile.package