From cc11bb9de8eb567960a88609e28c9ea78cbe9a4e Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 20 Apr 2016 21:02:55 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14850
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/MAKE/Makefile.mpi | 2 +-
src/MAKE/Makefile.mpi.old | 115 ----------------------------
src/MAKE/Makefile.serial | 2 +-
src/MAKE/Makefile.serial.old | 115 ----------------------------
src/MAKE/OPTIONS/Makefile.intel_cpu | 23 +++---
5 files changed, 13 insertions(+), 244 deletions(-)
delete mode 100644 src/MAKE/Makefile.mpi.old
delete mode 100644 src/MAKE/Makefile.serial.old
diff --git a/src/MAKE/Makefile.mpi b/src/MAKE/Makefile.mpi
index 960d774b62..5ecb8b2ca1 100644
--- a/src/MAKE/Makefile.mpi
+++ b/src/MAKE/Makefile.mpi
@@ -1,4 +1,4 @@
-# mpi = default MPI compiler, default MPI
+# mpi = MPI with its default compiler
SHELL = /bin/sh
diff --git a/src/MAKE/Makefile.mpi.old b/src/MAKE/Makefile.mpi.old
deleted file mode 100644
index c88985f336..0000000000
--- a/src/MAKE/Makefile.mpi.old
+++ /dev/null
@@ -1,115 +0,0 @@
-# mpi = default MPI compiler, default MPI
-
-SHELL = /bin/sh
-
-# ---------------------------------------------------------------------
-# compiler/linker settings
-# specify flags and libraries needed for your compiler
-
-CC = mpicxx
-CCFLAGS = -g -O3
-SHFLAGS = -fPIC
-DEPFLAGS = -M
-
-LINK = mpicxx
-LINKFLAGS = -g -O
-LIB =
-SIZE = size
-
-ARCHIVE = ar
-ARFLAGS = -rc
-SHLIBFLAGS = -shared
-
-# ---------------------------------------------------------------------
-# 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
-# see possible settings in Section 2.2 (step 4) of manual
-
-LMP_INC = -DLAMMPS_GZIP
-
-# 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
-
-MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1
-MPI_PATH =
-MPI_LIB =
-
-# FFT library
-# see discussion in Section 2.2 (step 6) of manual
-# 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
-# LIB = name of FFT library
-
-FFT_INC =
-FFT_PATH =
-FFT_LIB =
-
-# JPEG and/or PNG library
-# see discussion in Section 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
-# LIB = name(s) of JPEG library and/or PNG library
-
-JPG_INC =
-JPG_PATH =
-JPG_LIB =
-
-# ---------------------------------------------------------------------
-# build rules and dependencies
-# do not edit this section
-
-include Makefile.package.settings
-include Makefile.package
-
-EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC)
-EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH)
-EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB)
-EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS)
-EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS)
-
-# Path to src files
-
-vpath %.cpp ..
-vpath %.h ..
-
-# Link target
-
-$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS)
- $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
- $(SIZE) $(EXE)
-
-# Library targets
-
-lib: $(OBJ) $(EXTRA_LINK_DEPENDS)
- $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
-
-shlib: $(OBJ) $(EXTRA_LINK_DEPENDS)
- $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
- $(OBJ) $(EXTRA_LIB) $(LIB)
-
-# Compilation rules
-
-%.o:%.cpp $(EXTRA_CPP_DEPENDS)
- $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
-
-%.d:%.cpp $(EXTRA_CPP_DEPENDS)
- $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
-
-%.o:%.cu $(EXTRA_CPP_DEPENDS)
- $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
-
-# Individual dependencies
-
-DEPENDS = $(OBJ:.o=.d)
-sinclude $(DEPENDS)
diff --git a/src/MAKE/Makefile.serial b/src/MAKE/Makefile.serial
index 7d01ea1bb2..5d9598e7fc 100644
--- a/src/MAKE/Makefile.serial
+++ b/src/MAKE/Makefile.serial
@@ -1,4 +1,4 @@
-# serial = g++ compiler, no MPI, internal FFT
+# serial = GNU g++ compiler, no MPI
SHELL = /bin/sh
diff --git a/src/MAKE/Makefile.serial.old b/src/MAKE/Makefile.serial.old
deleted file mode 100644
index 2833839eef..0000000000
--- a/src/MAKE/Makefile.serial.old
+++ /dev/null
@@ -1,115 +0,0 @@
-# serial = g++ compiler, no MPI, internal FFT
-
-SHELL = /bin/sh
-
-# ---------------------------------------------------------------------
-# compiler/linker settings
-# specify flags and libraries needed for your compiler
-
-CC = g++
-CCFLAGS = -g -O3
-SHFLAGS = -fPIC
-DEPFLAGS = -M
-
-LINK = g++
-LINKFLAGS = -g -O
-LIB =
-SIZE = size
-
-ARCHIVE = ar
-ARFLAGS = -rc
-SHLIBFLAGS = -shared
-
-# ---------------------------------------------------------------------
-# 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
-# see possible settings in Section 2.2 (step 4) of manual
-
-LMP_INC = -DLAMMPS_GZIP
-
-# 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
-
-MPI_INC = -I../STUBS
-MPI_PATH = -L../STUBS
-MPI_LIB = -lmpi_stubs
-
-# 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
-# LIB = name of FFT library
-
-FFT_INC =
-FFT_PATH =
-FFT_LIB =
-
-# JPEG and/or PNG library
-# see discussion in Section 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
-# LIB = name(s) of JPEG library and/or PNG library
-
-JPG_INC =
-JPG_PATH =
-JPG_LIB =
-
-# ---------------------------------------------------------------------
-# build rules and dependencies
-# do not edit this section
-
-include Makefile.package.settings
-include Makefile.package
-
-EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC)
-EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH)
-EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB)
-EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS)
-EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS)
-
-# Path to src files
-
-vpath %.cpp ..
-vpath %.h ..
-
-# Link target
-
-$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS)
- $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
- $(SIZE) $(EXE)
-
-# Library targets
-
-lib: $(OBJ) $(EXTRA_LINK_DEPENDS)
- $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
-
-shlib: $(OBJ) $(EXTRA_LINK_DEPENDS)
- $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
- $(OBJ) $(EXTRA_LIB) $(LIB)
-
-# Compilation rules
-
-%.o:%.cpp $(EXTRA_CPP_DEPENDS)
- $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
-
-%.d:%.cpp $(EXTRA_CPP_DEPENDS)
- $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
-
-%.o:%.cu $(EXTRA_CPP_DEPENDS)
- $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
-
-# Individual dependencies
-
-DEPENDS = $(OBJ:.o=.d)
-sinclude $(DEPENDS)
diff --git a/src/MAKE/OPTIONS/Makefile.intel_cpu b/src/MAKE/OPTIONS/Makefile.intel_cpu
index 0c2c6afe5d..ac0dff472f 100755
--- a/src/MAKE/OPTIONS/Makefile.intel_cpu
+++ b/src/MAKE/OPTIONS/Makefile.intel_cpu
@@ -1,4 +1,4 @@
-# intel_cpu = USER-INTEL package with CPU optimizations, Intel MPI, MKL FFT
+# intel_cpu = USER-INTEL package with Intel compiler,
SHELL = /bin/sh
@@ -6,16 +6,16 @@ SHELL = /bin/sh
# compiler/linker settings
# specify flags and libraries needed for your compiler
-CC = mpiicpc
+CC = icc
OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits
CCFLAGS = -g -qopenmp -DLAMMPS_MEMALIGN=64 -no-offload \
-fno-alias -ansi-alias -restrict $(OPTFLAGS)
SHFLAGS = -fPIC
DEPFLAGS = -M
-LINK = mpiicpc
+LINK = icc
LINKFLAGS = -g -qopenmp $(OPTFLAGS)
-LIB = -ltbbmalloc
+LIB =
SIZE = size
ARCHIVE = ar
@@ -30,7 +30,7 @@ SHLIBFLAGS = -shared
# LAMMPS ifdef settings
# see possible settings in Section 2.2 (step 4) of manual
-LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG
+LMP_INC = -DLAMMPS_GZIP
# MPI library
# see discussion in Section 2.2 (step 5) of manual
@@ -41,9 +41,9 @@ LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG
# PATH = path for MPI library
# LIB = name of MPI library
-MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1
-MPI_PATH =
-MPI_LIB =
+MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -I/usr/local/include
+MPI_PATH = -L/usr/local/lib
+MPI_LIB = -lmpich -lmpl -lpthread
# FFT library
# see discussion in Section 2.2 (step 6) of manaul
@@ -52,10 +52,9 @@ MPI_LIB =
# PATH = path for FFT library
# LIB = name of FFT library
-FFT_INC = -DFFT_MKL -DFFT_SINGLE
+FFT_INC =
FFT_PATH =
-FFT_LIB = -L$MKLROOT/lib/intel64/ -lmkl_intel_ilp64 \
- -lmkl_sequential -lmkl_core
+FFT_LIB =
# JPEG and/or PNG library
# see discussion in Section 2.2 (step 7) of manual
@@ -66,7 +65,7 @@ FFT_LIB = -L$MKLROOT/lib/intel64/ -lmkl_intel_ilp64 \
JPG_INC =
JPG_PATH =
-JPG_LIB = -ljpeg
+JPG_LIB =
# ---------------------------------------------------------------------
# build rules and dependencies
--
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