diff --git a/src/MAKE/OPTIONS/Makefile.kokkos_omp b/src/MAKE/OPTIONS/Makefile.g++_serial
similarity index 91%
copy from src/MAKE/OPTIONS/Makefile.kokkos_omp
copy to src/MAKE/OPTIONS/Makefile.g++_serial
index b9402eae7..a01e4cae9 100644
--- a/src/MAKE/OPTIONS/Makefile.kokkos_omp
+++ b/src/MAKE/OPTIONS/Makefile.g++_serial
@@ -1,121 +1,120 @@
-# kokkos_omp = KOKKOS package with OMP support, MPI compiler, default MPI
+# g++_serial = GNU g++ compiler, no MPI
 
 SHELL = /bin/sh
 
 # ---------------------------------------------------------------------
 # compiler/linker settings
 # specify flags and libraries needed for your compiler
 
-CC =		mpicxx
+CC =		g++
 CCFLAGS =	-g -O3
 SHFLAGS =	-fPIC
 DEPFLAGS =	-M
 
-LINK =		mpicxx
+LINK =		g++
 LINKFLAGS =	-g -O
 LIB = 
 SIZE =		size
 
 ARCHIVE =	ar
 ARFLAGS =	-rc
 SHLIBFLAGS =	-shared
-KOKKOS_DEVICES = OpenMP
 
 # ---------------------------------------------------------------------
 # 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 =	
+MPI_INC =       -I../STUBS 
+MPI_PATH =      -L../STUBS
+MPI_LIB =	-lmpi_stubs
 
 # FFT library
-# see discussion in Section 2.2 (step 6) of manual
+# 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
 
 depend : fastdep.exe $(SRC)
 	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
 
 fastdep.exe: ../DEPEND/fastdep.c
 	cc -O -o $@ $<
 
 sinclude .depend
diff --git a/src/MAKE/OPTIONS/Makefile.opt b/src/MAKE/OPTIONS/Makefile.gpu
similarity index 96%
copy from src/MAKE/OPTIONS/Makefile.opt
copy to src/MAKE/OPTIONS/Makefile.gpu
index c5bd441ea..e822161c5 100644
--- a/src/MAKE/OPTIONS/Makefile.opt
+++ b/src/MAKE/OPTIONS/Makefile.gpu
@@ -1,120 +1,120 @@
-# opt = OPT package with default MPI compiler, default MPI
+# gpu = GPU package, MPI with its default compiler
 
 SHELL = /bin/sh
 
 # ---------------------------------------------------------------------
 # compiler/linker settings
 # specify flags and libraries needed for your compiler
 
 CC =		mpicxx
-CCFLAGS =	-g -O3 -restrict
+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 =       
+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
 
 depend : fastdep.exe $(SRC)
 	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
 
 fastdep.exe: ../DEPEND/fastdep.c
 	cc -O -o $@ $<
 
 sinclude .depend
diff --git a/src/MAKE/OPTIONS/Makefile.intel_cpu b/src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi
similarity index 90%
copy from src/MAKE/OPTIONS/Makefile.intel_cpu
copy to src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi
index ac0dff472..74ff65d0c 100755
--- a/src/MAKE/OPTIONS/Makefile.intel_cpu
+++ b/src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi
@@ -1,122 +1,123 @@
-# intel_cpu = USER-INTEL package with Intel compiler, 
+# intel_cpu_intelmpi = USER-INTEL package, Intel MPI, MKL FFT
 
 SHELL = /bin/sh
 
 # ---------------------------------------------------------------------
 # compiler/linker settings
 # specify flags and libraries needed for your compiler
 
-CC =		icc
+CC =		mpiicpc 
 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 =		icc
+LINK =		mpiicpc
 LINKFLAGS =	-g -qopenmp $(OPTFLAGS)
-LIB =           
+LIB =           -ltbbmalloc
 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 -I/usr/local/include
-MPI_PATH =      -L/usr/local/lib
-MPI_LIB =	-lmpich -lmpl -lpthread
+MPI_INC =       -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1
+MPI_PATH = 
+MPI_LIB =
 
 # 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_INC =       -DFFT_MKL -DFFT_SINGLE
 FFT_PATH = 
-FFT_LIB =       
+FFT_LIB =       -L$MKLROOT/lib/intel64/ -lmkl_intel_ilp64 \
+                -lmkl_sequential -lmkl_core	
 
 # 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
 
 depend : fastdep.exe $(SRC)
 	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
 
 fastdep.exe: ../DEPEND/fastdep.c
 	cc -O -o $@ $<
 
 sinclude .depend
diff --git a/src/MAKE/OPTIONS/Makefile.intel_cpu b/src/MAKE/OPTIONS/Makefile.intel_cpu_mpich
similarity index 96%
copy from src/MAKE/OPTIONS/Makefile.intel_cpu
copy to src/MAKE/OPTIONS/Makefile.intel_cpu_mpich
index ac0dff472..d4cbdbdb0 100755
--- a/src/MAKE/OPTIONS/Makefile.intel_cpu
+++ b/src/MAKE/OPTIONS/Makefile.intel_cpu_mpich
@@ -1,122 +1,122 @@
-# intel_cpu = USER-INTEL package with Intel compiler, 
+# intel_cpu_mpich = USER-INTEL package, MPICH with compiler set to Intel icc
 
 SHELL = /bin/sh
 
 # ---------------------------------------------------------------------
 # compiler/linker settings
 # specify flags and libraries needed for your compiler
 
-CC =		icc
+CC =		mpicxx -cxx=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 =		icc
+LINK =		mpicxx -cxx=icc
 LINKFLAGS =	-g -qopenmp $(OPTFLAGS)
 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 -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
 # 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
 
 depend : fastdep.exe $(SRC)
 	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
 
 fastdep.exe: ../DEPEND/fastdep.c
 	cc -O -o $@ $<
 
 sinclude .depend
diff --git a/src/MAKE/OPTIONS/Makefile.intel_cpu b/src/MAKE/OPTIONS/Makefile.intel_cpu_openmpi
similarity index 96%
rename from src/MAKE/OPTIONS/Makefile.intel_cpu
rename to src/MAKE/OPTIONS/Makefile.intel_cpu_openmpi
index ac0dff472..f4005e418 100755
--- a/src/MAKE/OPTIONS/Makefile.intel_cpu
+++ b/src/MAKE/OPTIONS/Makefile.intel_cpu_openmpi
@@ -1,122 +1,123 @@
-# intel_cpu = USER-INTEL package with Intel compiler, 
+# intel_cpu_openmpi = USER-INTEL package, OpenMPI with compiler set to Intel icc
 
 SHELL = /bin/sh
 
 # ---------------------------------------------------------------------
 # compiler/linker settings
 # specify flags and libraries needed for your compiler
 
-CC =		icc
+OMPI_CXX :=     icc
+CC =		mpicxx
 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 =		icc
+LINK =		mpicxx
 LINKFLAGS =	-g -qopenmp $(OPTFLAGS)
 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 -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
 # 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
 
 depend : fastdep.exe $(SRC)
 	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
 
 fastdep.exe: ../DEPEND/fastdep.c
 	cc -O -o $@ $<
 
 sinclude .depend
diff --git a/src/MAKE/OPTIONS/Makefile.kokkos_cuda b/src/MAKE/OPTIONS/Makefile.kokkos_cuda
index 008482beb..f75c297d1 100644
--- a/src/MAKE/OPTIONS/Makefile.kokkos_cuda
+++ b/src/MAKE/OPTIONS/Makefile.kokkos_cuda
@@ -1,125 +1,125 @@
-# kokkos_cuda = KOKKOS package with CUDA support, OpenMPI, nvcc/mpicxx compiler
+# kokkos_cuda = KOKKOS/CUDA package, OpenMPI with nvcc compiler, Kepler GPU
 
 SHELL = /bin/sh
 
 KOKKOS_ABSOLUTE_PATH = $(shell cd $(KOKKOS_PATH); pwd)
 export OMPI_CXX = $(KOKKOS_ABSOLUTE_PATH)/config/nvcc_wrapper
 
 # ---------------------------------------------------------------------
 # 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
 KOKKOS_DEVICES = Cuda, OpenMP
 KOKKOS_ARCH = Kepler35
 
 # ---------------------------------------------------------------------
 # 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 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
 
 depend : fastdep.exe $(SRC)
 	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
 
 fastdep.exe: ../DEPEND/fastdep.c
 	cc -O -o $@ $<
 
 sinclude .depend
diff --git a/src/MAKE/OPTIONS/Makefile.kokkos_cuda b/src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpich
similarity index 93%
copy from src/MAKE/OPTIONS/Makefile.kokkos_cuda
copy to src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpich
index 008482beb..efdc728bd 100644
--- a/src/MAKE/OPTIONS/Makefile.kokkos_cuda
+++ b/src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpich
@@ -1,125 +1,123 @@
-# kokkos_cuda = KOKKOS package with CUDA support, OpenMPI, nvcc/mpicxx compiler
+# kokkos_cuda = KOKKOS/CUDA package, MPICH with nvcc compiler, Kepler GPU
 
 SHELL = /bin/sh
 
-KOKKOS_ABSOLUTE_PATH = $(shell cd $(KOKKOS_PATH); pwd)
-export OMPI_CXX = $(KOKKOS_ABSOLUTE_PATH)/config/nvcc_wrapper
-
 # ---------------------------------------------------------------------
 # compiler/linker settings
 # specify flags and libraries needed for your compiler
 
-CC =		mpicxx
+KOKKOS_ABSOLUTE_PATH = $(shell cd $(KOKKOS_PATH); pwd)
+CC =		mpicxx -cxx=$(KOKKOS_ABSOLUTE_PATH)/config/nvcc_wrapper
 CCFLAGS =	-g -O3
 SHFLAGS =	-fPIC
 DEPFLAGS =	-M
 
-LINK =		mpicxx
+LINK =		mpicxx -cxx=$(KOKKOS_ABSOLUTE_PATH)/config/nvcc_wrapper
 LINKFLAGS =	-g -O
 LIB = 
 SIZE =		size
 
 ARCHIVE =	ar
 ARFLAGS =	-rc
 SHLIBFLAGS =	-shared
 KOKKOS_DEVICES = Cuda, OpenMP
-KOKKOS_ARCH = Kepler35
+KOKKOS_ARCH =   Kepler35
 
 # ---------------------------------------------------------------------
 # 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 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
 
 depend : fastdep.exe $(SRC)
 	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
 
 fastdep.exe: ../DEPEND/fastdep.c
 	cc -O -o $@ $<
 
 sinclude .depend
diff --git a/src/MAKE/OPTIONS/Makefile.kokkos_cuda b/src/MAKE/OPTIONS/Makefile.kokkos_cuda_openmpi
similarity index 95%
copy from src/MAKE/OPTIONS/Makefile.kokkos_cuda
copy to src/MAKE/OPTIONS/Makefile.kokkos_cuda_openmpi
index 008482beb..64e58093c 100644
--- a/src/MAKE/OPTIONS/Makefile.kokkos_cuda
+++ b/src/MAKE/OPTIONS/Makefile.kokkos_cuda_openmpi
@@ -1,125 +1,124 @@
-# kokkos_cuda = KOKKOS package with CUDA support, OpenMPI, nvcc/mpicxx compiler
+# kokkos_cuda = KOKKOS/CUDA package, OpenMPI with nvcc compiler, Kepler GPU
 
 SHELL = /bin/sh
 
-KOKKOS_ABSOLUTE_PATH = $(shell cd $(KOKKOS_PATH); pwd)
-export OMPI_CXX = $(KOKKOS_ABSOLUTE_PATH)/config/nvcc_wrapper
-
 # ---------------------------------------------------------------------
 # compiler/linker settings
 # specify flags and libraries needed for your compiler
 
+KOKKOS_ABSOLUTE_PATH = $(shell cd $(KOKKOS_PATH); pwd)
+OMPI_CXX :=     $(KOKKOS_ABSOLUTE_PATH)/config/nvcc_wrapper
 CC =		mpicxx
 CCFLAGS =	-g -O3
 SHFLAGS =	-fPIC
 DEPFLAGS =	-M
 
 LINK =		mpicxx
 LINKFLAGS =	-g -O
 LIB = 
 SIZE =		size
 
 ARCHIVE =	ar
 ARFLAGS =	-rc
 SHLIBFLAGS =	-shared
 KOKKOS_DEVICES = Cuda, OpenMP
-KOKKOS_ARCH = Kepler35
+KOKKOS_ARCH =   Kepler35
 
 # ---------------------------------------------------------------------
 # 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 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
 
 depend : fastdep.exe $(SRC)
 	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
 
 fastdep.exe: ../DEPEND/fastdep.c
 	cc -O -o $@ $<
 
 sinclude .depend
diff --git a/src/MAKE/OPTIONS/Makefile.kokkos_omp b/src/MAKE/OPTIONS/Makefile.kokkos_omp
index b9402eae7..bb19fb2e1 100644
--- a/src/MAKE/OPTIONS/Makefile.kokkos_omp
+++ b/src/MAKE/OPTIONS/Makefile.kokkos_omp
@@ -1,121 +1,121 @@
-# kokkos_omp = KOKKOS package with OMP support, MPI compiler, default MPI
+# kokkos_omp = KOKKOS package with OMP support, MPI with its default compiler
 
 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
 KOKKOS_DEVICES = OpenMP
 
 # ---------------------------------------------------------------------
 # 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
 
 depend : fastdep.exe $(SRC)
 	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
 
 fastdep.exe: ../DEPEND/fastdep.c
 	cc -O -o $@ $<
 
 sinclude .depend
diff --git a/src/MAKE/OPTIONS/Makefile.omp b/src/MAKE/OPTIONS/Makefile.omp
index 126dbe732..fd485d541 100644
--- a/src/MAKE/OPTIONS/Makefile.omp
+++ b/src/MAKE/OPTIONS/Makefile.omp
@@ -1,120 +1,120 @@
-# omp = USER-OMP package with default MPI compiler, default MPI
+# omp = USER-OMP package, MPI with its default compiler
 
 SHELL = /bin/sh
 
 # ---------------------------------------------------------------------
 # compiler/linker settings
 # specify flags and libraries needed for your compiler
 
 CC =		mpicxx
 CCFLAGS =	-g -O3 -restrict -fopenmp
 SHFLAGS =	-fPIC
 DEPFLAGS =	-M
 
 LINK =		mpicxx
 LINKFLAGS =	-g -O -fopenmp
 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
 
 depend : fastdep.exe $(SRC)
 	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
 
 fastdep.exe: ../DEPEND/fastdep.c
 	cc -O -o $@ $<
 
 sinclude .depend
diff --git a/src/MAKE/OPTIONS/Makefile.opt b/src/MAKE/OPTIONS/Makefile.opt
index c5bd441ea..29903565d 100644
--- a/src/MAKE/OPTIONS/Makefile.opt
+++ b/src/MAKE/OPTIONS/Makefile.opt
@@ -1,120 +1,120 @@
-# opt = OPT package with default MPI compiler, default MPI
+# opt = OPT package, MPI with its default compiler
 
 SHELL = /bin/sh
 
 # ---------------------------------------------------------------------
 # compiler/linker settings
 # specify flags and libraries needed for your compiler
 
 CC =		mpicxx
 CCFLAGS =	-g -O3 -restrict
 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
 
 depend : fastdep.exe $(SRC)
 	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
 
 fastdep.exe: ../DEPEND/fastdep.c
 	cc -O -o $@ $<
 
 sinclude .depend