diff --git a/src/MAKE/Makefile.g++ b/src/MAKE/Makefile.g++ index a654191d18..b8594536c7 100755 --- a/src/MAKE/Makefile.g++ +++ b/src/MAKE/Makefile.g++ @@ -1,4 +1,4 @@ -# g++ = RedHat Linux box, g++, MPICH2, FFTW +# g++ = RedHat Linux box, g++4, gfortran, MPICH2, FFTW SHELL = /bin/sh @@ -6,10 +6,10 @@ SHELL = /bin/sh # compiler/linker settings # specify flags and libraries needed for your compiler -CC = g++ +CC = g++4 CCFLAGS = -g -O DEPFLAGS = -M -LINK = g++ +LINK = g++4 LINKFLAGS = -g -O LIB = ARCHIVE = ar @@ -49,13 +49,13 @@ FFT_LIB = -lfftw # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart -meam_SYSLIB = -lifcore -lsvml -lompstub -limf -reax_SYSLIB = -lifcore -lsvml -lompstub -limf +meam_SYSLIB = -lgfortran +reax_SYSLIB = -lgfortran user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 -meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib -reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib +meam_SYSPATH = +reax_SYSPATH = user-atc_SYSPATH = # --------------------------------------------------------------------- diff --git a/src/MAKE/Makefile.linux b/src/MAKE/Makefile.linux index 12ac1cf24b..cad1571214 100755 --- a/src/MAKE/Makefile.linux +++ b/src/MAKE/Makefile.linux @@ -1,4 +1,4 @@ -# linux = RedHat Linux box, Intel icc, MPICH2, FFTW +# linux = RedHat Linux box, Intel icc & ifort, MPICH2, FFTW SHELL = /bin/sh diff --git a/src/MAKE/Makefile.mac_mpi b/src/MAKE/Makefile.mac_mpi index b670bfb6f8..db60bd2e80 100755 --- a/src/MAKE/Makefile.mac_mpi +++ b/src/MAKE/Makefile.mac_mpi @@ -57,8 +57,8 @@ reax_SYSLIB = -lgfortran user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 -meam_SYSPATH = -L/usr/local/lib/x86_64 -reax_SYSPATH = -L/usr/local/lib/x86_64 +meam_SYSPATH = -L/usr/lib +reax_SYSPATH = -L/usr/lib user-atc_SYSPATH = # --------------------------------------------------------------------- diff --git a/src/MAKE/Makefile.serial b/src/MAKE/Makefile.serial index be42a4dd36..ed9a344bc3 100755 --- a/src/MAKE/Makefile.serial +++ b/src/MAKE/Makefile.serial @@ -1,4 +1,4 @@ -# serial = RedHat Linux box, g++, no MPI, no FFTs +# serial = RedHat Linux box, g++4, gfortran, no MPI, no FFTs SHELL = /bin/sh @@ -7,10 +7,10 @@ SHELL = /bin/sh # generally no need to edit this section # unless additional compiler/linker flags or libraries needed for your machine -CC = g++ +CC = g++4 CCFLAGS = -O DEPFLAGS = -M -LINK = g++ +LINK = g++4 LINKFLAGS = -O LIB = ARCHIVE = ar @@ -50,13 +50,13 @@ FFT_LIB = # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart -meam_SYSLIB = -lifcore -lsvml -lompstub -limf -reax_SYSLIB = -lifcore -lsvml -lompstub -limf +meam_SYSLIB = -lgfortran +reax_SYSLIB = -lgfortran user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 -meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib -reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib +meam_SYSPATH = +reax_SYSPATH = user-atc_SYSPATH = # --------------------------------------------------------------------- diff --git a/src/MAKE/Makefile.serial_debug b/src/MAKE/Makefile.serial_debug index fa9fdb20ad..ee26eb9f5d 100644 --- a/src/MAKE/Makefile.serial_debug +++ b/src/MAKE/Makefile.serial_debug @@ -1,4 +1,4 @@ -# serial_debug = RedHat Linux box, g++, no MPI, no FFTs +# serial_debug = RedHat Linux box, g++4, gfortran, no MPI, no FFTs SHELL = /bin/sh @@ -6,10 +6,10 @@ SHELL = /bin/sh # compiler/linker settings # specify flags and libraries needed for your compiler -CC = g++ +CC = g++4 CCFLAGS = -O -Wall -W -O2 -funroll-loops -fstrict-aliasing DEPFLAGS = -M -LINK = g++ +LINK = g++4 LINKFLAGS = -O LIB = ARCHIVE = ar @@ -49,13 +49,13 @@ FFT_LIB = # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart -meam_SYSLIB = -lifcore -lsvml -lompstub -limf -reax_SYSLIB = -lifcore -lsvml -lompstub -limf +meam_SYSLIB = -lgfortran +reax_SYSLIB = -lgfortran user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 -meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib -reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib +meam_SYSPATH = +reax_SYSPATH = user-atc_SYSPATH = # --------------------------------------------------------------------- diff --git a/src/Makefile.package b/src/Makefile.package index 0c8aa9d850..34f1e45a22 100644 --- a/src/Makefile.package +++ b/src/Makefile.package @@ -1,9 +1,9 @@ # Settings for libraries used by specific LAMMPS packages # this file is auto-edited when those packages are included/excluded -PKG_INC = -I../../lib/reax -I../../lib/poems -I../../lib/meam -PKG_PATH = -L../../lib/reax -L../../lib/poems -L../../lib/meam -PKG_LIB = -lreax -lpoems -lmeam +PKG_INC = -I../../lib/reax -I../../lib/meam -I../../lib/poems +PKG_PATH = -L../../lib/reax -L../../lib/meam -L../../lib/poems +PKG_LIB = -lreax -lmeam -lpoems PKG_SYSPATH = $(reax_SYSPATH) $(meam_SYSPATH) PKG_SYSLIB = $(reax_SYSLIB) $(meam_SYSLIB)