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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12583 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2014-10-06 20:59:58 +00:00
parent 4d473aa473
commit 0d33aaee2d
59 changed files with 598 additions and 189 deletions
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3
src/MAKE/MACHINES/Makefile.altix
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.beacon
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@ -105,6 +105,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.bgl
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@ -110,6 +110,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.chama
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@ -100,6 +100,9 @@ lib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.cygwin
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.encanto
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.fink
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.glory
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@ -121,6 +121,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.jaguar
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.mac
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.mac_mpi
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@ -107,6 +107,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.mingw32-cross
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@ -109,6 +109,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.mingw32-cross-mpi
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@ -109,6 +109,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.mingw64-cross
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@ -109,6 +109,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.mingw64-cross-mpi
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@ -109,6 +109,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.mkl
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@ -110,6 +110,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.odin
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.power5
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@ -105,6 +105,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.qed
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.redsky
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@ -124,6 +124,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.sdsc
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@ -109,6 +109,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.seaborg
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@ -105,6 +105,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.serial
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.sgi
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.solaris
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.spirit
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@ -112,6 +112,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.stampede
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@ -105,6 +105,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.tacc
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@ -107,6 +107,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.tbird
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@ -123,6 +123,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.tesla
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.tunnison
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@ -114,6 +114,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.ubuntu
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@ -108,6 +108,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.ubuntu_simple
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@ -107,6 +107,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.xe6
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@ -105,6 +105,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.xt3
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@ -106,6 +106,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/MACHINES/Makefile.xt5
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@ -105,6 +105,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/Makefile.mpi
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/Makefile.serial
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.fftw
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.intel_cpu
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@ -106,6 +106,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.intel_phi
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@ -107,6 +107,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.jpeg
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

2
src/MAKE/OPTIONS/Makefile.kokkos_cuda
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@ -11,7 +11,7 @@ CCFLAGS = -g -O3 -arch=sm_20
SHFLAGS = -fPIC
DEPFLAGS = -M
LINK = g++
LINK = nvcc
LINKFLAGS = -g -O
LIB =
SIZE = size

3
src/MAKE/OPTIONS/Makefile.kokkos_omp
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@ -105,6 +105,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.kokkos_phi
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@ -106,6 +106,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.mpich_g++
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.mpich_icc
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.mpich_native_g++
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.mpich_native_icc
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.omp
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.ompi_g++
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@ -105,6 +105,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.ompi_icc
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@ -105,6 +105,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.ompi_native_g++
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.ompi_native_icc
View File

@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.opt
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.pgi
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@ -105,6 +105,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.png
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@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

3
src/MAKE/OPTIONS/Makefile.serial_icc
View File

@ -104,6 +104,9 @@ shlib: $(OBJ)
%.d:%.cpp
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
DEPENDS = $(OBJ:.o=.d)

614
src/Make.py
View File

@ -9,8 +9,8 @@ import sys,os,commands,re,copy
# switch abbrevs
# switch classes = created class for each switch
# lib classes = auxiliary package libs
# build classes = used to build with certain packages
# option classes = used for options
# build classes = build options with defaults
# make classes = makefile options with no defaults
# setargs = makefile settings
# actionargs = allowed actions (also lib-dir and machine)
@ -20,8 +20,8 @@ switchclasses = ("actions","dir","help","jmake","makefile",
"output","packages","redo","settings","verbose")
libclasses = ("atc","awpmd","colvars","cuda","gpu",
"meam","poems","qmmm","reax")
buildclasses = ("cc","intel","kokkos")
optionclasses = ("jpg","png","fft")
buildclasses = ("intel","kokkos")
makeclasses = ("cc","mpi","fft","jpg","png")
setargs = ("gzip","#gzip","ffmpeg","#ffmpeg","smallbig","bigbig","smallsmall")
actionargs = ("lib-all","file","clean","exe")
@ -71,7 +71,7 @@ def parse_args(args):
last += 1
sw[switch] = args[first:last]
iarg = last
return sw,order
# convert switches in sw back to a string, in switch_order
@ -87,8 +87,46 @@ def switch2str(switches,switch_order):
if switches[switch]: txt += ' ' + ' '.join(switches[switch])
return txt
# check if compiler works with ccflags on dummy one-line tmpauto.cpp file
# return 1 if successful, else 0
# warn = 1 = print warning if not successful, warn = 0 = no warning
def compile_check(compiler,ccflags,warn):
open("tmpauto.cpp",'w').write("int main(int, char **) {}")
str = "%s %s -c tmpauto.cpp" % (compiler,ccflags)
txt = commands.getoutput(str)
if txt or not os.path.isfile("tmpauto.o"):
flag = 0
if warn:
print str
if txt: print txt
else: print "compile produced no output"
else: flag = 1
os.remove("tmpauto.cpp")
if os.path.isfile("tmpauto.o"): os.remove("tmpauto.o")
return flag
# check if linker works with linkflags on tmpauto.o file
# return 1 if successful, else 0
# warn = 1 = print warning if not successful, warn = 0 = no warning
def link_check(linker,linkflags,warn):
open("tmpauto.cpp",'w').write("int main(int, char **) {}")
str = "%s %s -o tmpauto tmpauto.cpp" % (linker,linkflags)
txt = commands.getoutput(str)
if txt or not os.path.isfile("tmpauto"):
flag = 0
if warn:
print str
if txt: print txt
else: print "link produced no output"
else: flag = 1
os.remove("tmpauto.cpp")
if os.path.isfile("tmpauto"): os.remove("tmpauto")
return flag
# ----------------------------------------------------------------
# classes, one per switch
# switch classes, one per switch
# ----------------------------------------------------------------
# actions
@ -172,7 +210,7 @@ Actions:
def lib(self,suffix):
if suffix != "all":
print " building library",suffix
print "building library",suffix,"..."
str = "%s.build()" % suffix
exec(str)
else:
@ -181,107 +219,197 @@ Actions:
if final[one]:
if "user" in one: pkg = one[5:]
else: pkg = one
print " building library",pkg
print "building library",pkg,"..."
str = "%s.build()" % pkg
exec(str)
# read existing Makefile.machine
# if tweak = 1: tweak file if accelerator packages will be installed
# if tweak = 0: no change to file
# read Makefile.machine
# if caller = "file", edit via switches
# if caller = "exe", just read
# write out new Makefile.auto
def file(self,tweak):
if makefile: machine = makefile.machine
else: machine = "auto"
def file(self,caller):
# if caller = "file", create from mpi or read from makefile.machine or auto
# if caller = "exe" and "file" action already invoked, read from auto
# if caller = "exe" and no "file" action, read from makefile.machine or auto
if caller == "file":
if makefile and makefile.machine == "none":
if cc and mpi: machine = "mpi"
else: error("Cannot create makefile unless -cc and -mpi are used")
elif makefile: machine = makefile.machine
else: machine = "auto"
elif caller == "exe" and "file" in self.alist:
machine = "auto"
elif caller == "exe" and "file" not in self.alist:
if makefile and makefile.machine == "none":
error("Cannot build with makefile = none")
elif makefile: machine = makefile.machine
else: machine = "auto"
make = MakeReader(machine,1)
# if compiler not explicitly set, examine CC makefile setting
# if mpi, use "mpicxx -show" (for example) to determine underlying compiler
if not cc.compiler:
ccfile = make.getvar("CC")
if "mpi" in ccfile[0]:
showtxt = commands.getoutput("%s -show" % ccfile[0])
words = showtxt.split()
if words[0] == "g++" or words[0] == "c++": cc.compiler = "g++"
elif words[0] == "icc": cc.compiler = "icc"
else: cc.compiler = "mpi"
elif "icc" in ccfile: cc.compiler = "icc"
elif "g++" in ccfile: cc.compiler = "g++"
elif "nvcc" in ccfile: cc.compiler = "nvcc"
if cc.compiler == "mpi":
error("Makefile.auto using compiler = mpi, b/c could not grok " +
"%s result from %s -show" % (words[0],ccfile[0]),0)
# be careful to match makefile settings to compiler being used
# change makefile settings to user specifications
if tweak:
precompiler = ""
if caller == "file":
# add compiler/linker and default CCFLAGS,LINKFLAGS
# if cc.wrap, add wrapper setting for nvcc or mpi = ompi/mpich
# if cc.wwrap, add 2nd wrapper setting for mpi = ompi/mpich
# precompiler = env variable setting for OpenMPI wrapper compiler
if cc:
make.setvar("CC",cc.compiler)
make.setvar("LINK",cc.compiler)
if cc.wrap:
abbrev = cc.abbrev
if abbrev == "nvcc":
make.addvar("CC","-ccbin=%s" % cc.wrap)
make.addvar("LINK","-ccbin=%s" % cc.wrap)
elif abbrev == "mpi":
txt = commands.getoutput("mpicxx -show")
if "-lmpich" in txt:
make.addvar("CC","-cxx=%s" % cc.wrap)
make.addvar("LINK","-cxx=%s" % cc.wrap)
elif "-lmpi" in txt:
make.addvar("OMPI_CXX",cc.wrap,"cc")
precompiler = "env OMPI_CXX=%s " % cc.wrap
else: error("Could not add MPI wrapper compiler, " +
"did not recognize OpenMPI or MPICH")
if cc.wwrap:
txt = commands.getoutput("mpicxx -show")
if "-lmpich" in txt:
make.addvar("CC","-Xcompiler -cxx=%s" % cc.wwrap)
make.addvar("LINK","-Xcompiler -cxx=%s" % cc.wwrap)
elif "-lmpi" in txt:
make.addvar("OMPI_CXX",cc.wwrap,"cc")
precompiler = "env OMPI_CXX=%s " % cc.wwrap
else: error("Could not add MPI wrapper compiler, " +
"did not recognize OpenMPI or MPICH")
make.setvar("CCFLAGS","-g")
make.addvar("CCFLAGS","-O3")
make.setvar("LINKFLAGS","-g")
make.addvar("LINKFLAGS","-O")
# add MPI settings
if mpi:
make.delvar("MPI_INC","*")
make.delvar("MPI_PATH","*")
make.delvar("MPI_LIB","*")
if mpi.style == "mpi":
make.addvar("MPI_INC","-DMPICH_SKIP_MPICXX")
make.addvar("MPI_INC","-DOMPI_SKIP_MPICXX=1")
elif mpi.style == "mpich":
make.addvar("MPI_INC","-DMPICH_SKIP_MPICXX")
make.addvar("MPI_INC","-DOMPI_SKIP_MPICXX=1")
if mpi.dir: make.addvar("MPI_INC","-I%s/include" % mpi.dir)
if mpi.dir: make.addvar("MPI_PATH","-L%s/lib" % mpi.dir)
make.addvar("MPI_LIB","-lmpich")
make.addvar("MPI_LIB","-lmpl")
make.addvar("MPI_LIB","-lpthread")
elif mpi.style == "ompi":
make.addvar("MPI_INC","-DMPICH_SKIP_MPICXX")
make.addvar("MPI_INC","-DOMPI_SKIP_MPICXX=1")
if mpi.dir: make.addvar("MPI_INC","-I%s/include" % mpi.dir)
if mpi.dir: make.addvar("MPI_PATH","-L%s/lib" % mpi.dir)
make.addvar("MPI_LIB","-lmpi")
make.addvar("MPI_LIB","-lmpi_cxx")
elif mpi.style == "serial":
make.addvar("MPI_INC","-I../STUBS")
make.addvar("MPI_PATH","-L../STUBS")
make.addvar("MPI_LIB","-lmpi_stubs")
# add accelerator package CCFLAGS and LINKFLAGS and variables
# pre = "" if compiler not nvcc,
# else "-Xcompiler " to pass flag thru to wrapper compiler
compiler = precompiler + ' '.join(make.getvar("CC"))
linker = precompiler + ' '.join(make.getvar("LINK"))
if "nvcc" in compiler: pre = "-Xcompiler "
else: pre = ""
final = packages.final
if final["opt"]:
if cc.compiler == "icc": make.addvar("CCFLAGS","-restrict")
if compile_check(compiler,pre + "-restrict",0):
make.addvar("CCFLAGS",pre + "-restrict")
if final["user-omp"]:
if cc.compiler == "icc": make.addvar("CCFLAGS","-restrict")
# KOKKOS Cuda build will add -Xcompiler -fopenmp
if cc.compiler != "nvcc": make.addvar("CCFLAGS","-fopenmp")
if cc.compiler != "nvcc": make.addvar("LINKFLAGS","-fopenmp")
if compile_check(compiler,pre + "-restrict",0):
make.addvar("CCFLAGS",pre + "-restrict")
#if "nvcc" not in compiler:
if compile_check(compiler,pre + "-fopenmp",1):
make.addvar("CCFLAGS",pre + "-fopenmp")
make.addvar("LINKFLAGS",pre + "-fopenmp")
if final["user-intel"]:
if intel.mode == "cpu":
if cc.compiler != "icc":
error("Makefile.auto for intel/cpu but without some settings " +
"b/c may not be using Intel icc compiler",0)
make.addvar("CCFLAGS","-fopenmp")
make.addvar("LINKFLAGS","-fopenmp")
make.addvar("CCFLAGS","-DLAMMPS_MEMALIGN=64")
if cc.compiler == "icc": make.addvar("CCFLAGS","-restrict")
make.addvar("CCFLAGS","-xHost")
if cc.compiler == "icc": make.addvar("CCFLAGS","-fno-alias")
if cc.compiler == "icc": make.addvar("CCFLAGS","-ansi-alias")
if cc.compiler == "icc": make.addvar("CCFLAGS","-override-limits")
if cc.compiler == "icc": make.addvar("LINKFLAGS","-xHost")
make.delvar("CCFLAGS","-DLMP_INTEL_OFFLOAD")
make.delvar("LINKFLAGS","-offload")
if compile_check(compiler,pre + "-fopenmp",1):
make.addvar("CCFLAGS",pre + "-fopenmp")
make.addvar("LINKFLAGS",pre + "-fopenmp")
make.addvar("CCFLAGS",pre + "-DLAMMPS_MEMALIGN=64")
if compile_check(compiler,pre + "-restrict",1):
make.addvar("CCFLAGS",pre + "-restrict")
if compile_check(compiler,pre + "-xHost",1):
make.addvar("CCFLAGS",pre + "-xHost")
make.addvar("LINKFLAGS",pre + "-xHost")
if compile_check(compiler,pre + "-fno-alias",1):
make.addvar("CCFLAGS",pre + "-fno-alias")
if compile_check(compiler,pre + "-ansi-alias",1):
make.addvar("CCFLAGS",pre + "-ansi-alias")
if compile_check(compiler,pre + "-override-limits",1):
make.addvar("CCFLAGS",pre + "-override-limits")
make.delvar("CCFLAGS",pre + "-DLMP_INTEL_OFFLOAD")
make.delvar("LINKFLAGS",pre + "-offload")
elif intel.mode == "phi":
if cc.compiler != "icc":
error("Makefile.auto for intel/phi but may not be " +
"using Intel icc compiler",0)
make.addvar("CCFLAGS","-fopenmp")
make.addvar("CCFLAGS","-DLAMMPS_MEMALIGN=64")
make.addvar("CCFLAGS","-restrict")
make.addvar("CCFLAGS","-xHost")
make.addvar("CCFLAGS","-DLMP_INTEL_OFFLOAD")
make.addvar("CCFLAGS","-fno-alias")
make.addvar("CCFLAGS","-ansi-alias")
make.addvar("CCFLAGS","-override-limits")
make.addvar("CCFLAGS",'-offload-option,mic,compiler,' +
'"-fp-model fast=2 -mGLOB_default_function_attrs=' +
'\\"gather_scatter_loop_unroll=4\\""')
make.addvar("LINKFLAGS","-fopenmp")
make.addvar("LINKFLAGS","-offload")
else: error("Specified user-intel package w/out cpu or phi suffix")
if compile_check(compiler,pre + "-fopenmp",1):
make.addvar("CCFLAGS",pre + "-fopenmp")
make.addvar("LINKFLAGS",pre + "-fopenmp")
make.addvar("CCFLAGS",pre + "-DLAMMPS_MEMALIGN=64")
if compile_check(compiler,pre + "-restrict",1):
make.addvar("CCFLAGS",pre + "-restrict")
if compile_check(compiler,pre + "-xHost",1):
make.addvar("CCFLAGS",pre + "-xHost")
make.addvar("CCFLAGS",pre + "-DLMP_INTEL_OFFLOAD")
if compile_check(compiler,pre + "-fno-alias",1):
make.addvar("CCFLAGS",pre + "-fno-alias")
if compile_check(compiler,pre + "-ansi-alias",1):
make.addvar("CCFLAGS",pre + "-ansi-alias")
if compile_check(compiler,pre + "-override-limits",1):
make.addvar("CCFLAGS",pre + "-override-limits")
if compile_check(compiler,pre + '-offload-option,mic,compiler,' +
'"-fp-model fast=2 -mGLOB_default_function_attrs=' +
'\\"gather_scatter_loop_unroll=4\\""',1):
make.addvar("CCFLAGS",pre + '-offload-option,mic,compiler,' +
'"-fp-model fast=2 -mGLOB_default_function_attrs=' +
'\\"gather_scatter_loop_unroll=4\\""')
if link_check(linker,"-offload",1):
make.addvar("LINKFLAGS",pre + "-offload")
if final["kokkos"]:
if kokkos.mode == "omp":
make.addvar("OMP","yes")
make.addvar("OMP","yes","lmp")
make.delvar("CUDA")
make.delvar("MIC")
elif kokkos.mode == "cuda":
if cc.compiler != "nvcc":
error("Makefile.auto for kokkos/cuda but may not be " +
if "nvcc" not in compiler:
error("Kokkos/cuda build appears to not be " +
"using NVIDIA nvcc compiler",0)
make.addvar("OMP","yes")
make.addvar("CUDA","yes")
make.addvar("OMP","yes","lmp")
make.addvar("CUDA","yes","lmp")
make.delvar("MIC")
if kokkos.archflag:
make.delvar("CCFLAGS","-arch=sm_*")
make.addvar("CCFLAGS","-arch=sm_%s" % kokkos.arch)
elif kokkos.mode == "phi":
make.addvar("OMP","yes")
make.addvar("MIC","yes")
make.addvar("OMP","yes","lmp")
make.addvar("MIC","yes","lmp")
make.delvar("CUDA")
else: error("Specified kokkos package w/out omp or cuda or phi suffix")
# add LMP settings
if settings:
list = settings.inlist
for one in list:
@ -301,6 +429,23 @@ Actions:
make.delvar("LMP_INC","-DLAMMPS_BIGBIG")
make.addvar("LMP_INC","-DLAMMPS_SMALLSMALL")
# add FFT, JPG, PNG settings
if fft:
make.delvar("FFT_INC","*")
make.delvar("FFT_PATH","*")
make.delvar("FFT_LIB","*")
if fft.mode == "none": make.addvar("FFT_INC","-DFFT_NONE")
else:
make.addvar("FFT_INC","-DFFT_%s" % fft.mode.upper())
make.addvar("FFT_LIB",fft.lib)
if fft.dir:
make.addvar("FFT_INC","-I%s/include" % fft.dir)
make.addvar("FFT_PATH","-L%s/lib" % fft.dir)
else:
if fft.incdir: make.addvar("FFT_INC","-I%s" % fft.incdir)
if fft.libdir: make.addvar("FFT_PATH","-L%s" % fft.libdir)
if jpg:
if jpg.on == 0:
make.delvar("LMP_INC","-DLAMMPS_JPEG")
@ -329,23 +474,24 @@ Actions:
if png.incdir: make.addvar("JPG_INC","-I%s" % png.incdir)
if png.libdir: make.addvar("JPG_PATH","-L%s" % png.libdir)
if fft:
make.delvar("FFT_INC","*")
make.delvar("FFT_PATH","*")
make.delvar("FFT_LIB","*")
if fft.mode == "none": make.addvar("FFT_INC","-DFFT_NONE")
else:
make.addvar("FFT_INC","-DFFT_%s" % fft.mode.upper())
make.addvar("FFT_LIB",fft.lib)
if fft.dir:
make.addvar("FFT_INC","-I%s/include" % fft.dir)
make.addvar("FFT_PATH","-L%s/lib" % fft.dir)
else:
if fft.incdir: make.addvar("FFT_INC","-I%s" % fft.incdir)
if fft.libdir: make.addvar("FFT_PATH","-L%s" % fft.libdir)
make.write("%s/MAKE/MINE/Makefile.auto" % dir.src,1)
print "Created src/MAKE/MINE/Makefile.auto"
# write out Makefile.auto
# unless caller = "exe" and "file" action already invoked
if caller == "file" or "file" not in self.alist:
make.write("%s/MAKE/MINE/Makefile.auto" % dir.src,1)
print "Created src/MAKE/MINE/Makefile.auto"
# test full compile and link
# unless caller = "file" and "exe" action will be invoked later
if caller == "file" and "exe" in self.alist: return
compiler = precompiler + ' '.join(make.getvar("CC"))
ccflags = ' '.join(make.getvar("CCFLAGS"))
linker = precompiler + ' '.join(make.getvar("LINK"))
linkflags = ' '.join(make.getvar("LINKFLAGS"))
if not compile_check(compiler,ccflags,1):
error("Test of compilation failed")
if not link_check(linker,linkflags,1): error("Test of link failed")
# invoke "make clean-auto" to force clean before build
@ -355,10 +501,11 @@ Actions:
if verbose: print "Performed make clean-auto"
# build LAMMPS using Makefile.auto and -j setting
# delete lmp_auto first, so can detect if build fails
# invoke self.file() first, to test makefile compile/link
# delete existing lmp_auto, so can detect if build fails
def exe(self):
if "file" not in self.alist: self.file(0)
self.file("exe")
commands.getoutput("cd %s; rm -f lmp_auto" % dir.src)
if jmake: str = "cd %s; make -j %d auto" % (dir.src,jmake.n)
else: str = "cd %s; make auto" % dir.src
@ -422,7 +569,7 @@ Syntax: Make.py switch args ... {action1} {action2} ...
-atc, -awpmd, -colvars, -cuda
-gpu, -meam, -poems, -qmmm, -reax
switches for build and makefile options:
-intel, -kokkos, -jpg, -png, -fft
-intel, -kokkos, -cc, -mpi, -fft, -jpg, -png
add -h switch to command line to print this message
and help on other specified switches or actions
@ -459,8 +606,10 @@ class Makefile:
def help(self):
return """
-m machine
use src/MAKE/Makefile.machine as starting point to create Makefile.auto
if -m not specified, file/exe actions alter existing Makefile.auto
use Makefile.machine under src/MAKE as starting point to create Makefile.auto
if machine = "none", file action will create Makefile.auto from scratch
must use -cc and -mpi switches to specify compiler and MPI
if -m not specified, file/exe actions alter existing Makefile.auto
"""
def check(self):
@ -501,7 +650,7 @@ class Packages:
prefix by yes/no to install/uninstall (see abbrevs)
yes-molecule, yes-user-atc, no-molecule, no-user-atc
can use LAMMPS categories (type "make package" to see list)
all = all standard and user packages
all = all standard and user packages (also none = no-all)
std (or standard) = all standard packages
user = all user packages
lib = all standard and user packages with auxiliary libs
@ -509,7 +658,7 @@ class Packages:
omp = user-omp = yes-user-omp
^omp = ^user-omp = no-user-omp
user = yes-user, ^user = no-user
all = yes-all, ^all = no-all
all = yes-all, ^all = none = no-all
when action performed, list is processed in order,
as if typed "make yes/no" for each
if "orig" or "original" is last package in list,
@ -554,6 +703,7 @@ class Packages:
elif one == "^std" or one == "^standard" or one == "^user" or \
one == "^lib" or one == "^all":
plist.append("no-%s" % one[1:])
elif one == "none": plist.append("no-all")
elif one == "orig": plist.append(one)
else: error("Invalid package name %s" % one)
if "orig" in plist and plist.index("orig") != len(plist)-1:
@ -673,8 +823,7 @@ class Redo:
# self.commands = list of commands to execute
def setup(self):
if self.dir: file = "%s/%s" % (dir.src,self.file)
else: file = self.file
file = self.file
if not os.path.isfile(file): error("Redo file %s does not exist" % file)
lines = open(file,'r').readlines()
@ -746,7 +895,7 @@ class Verbose:
if len(self.inlist): error("-v args are invalid")
# ----------------------------------------------------------------
# classes, one per LAMMPS lib
# lib classes, one per LAMMPS auxiliary lib
# ----------------------------------------------------------------
# ATC lib
@ -1202,30 +1351,9 @@ class REAX:
else: print "Created lib/reax library"
# ----------------------------------------------------------------
# classes for cc and intel and kokkos build options
# build classes for intel, kokkos build options
# ----------------------------------------------------------------
# Cc class
class Cc:
def __init__(self,list):
if list == None: self.inlist = None
else: self.inlist = list[:]
self.compiler = ""
def help(self):
return """
-cc compiler
compiler = g++ or icc or nvcc
def = CC setting in Makefile.auto, result of "mpicxx -show" if MPI wrapper
used to tailor some Makefile.machine settings for specific compilers
"""
def check(self):
if self.inlist == None: return
if len(self.inlist) != 1: error("-cc args are invalid")
self.compiler = self.inlist[0]
# Intel class
class Intel:
@ -1284,9 +1412,148 @@ class Kokkos:
else: error("-kokkos args are invalid")
# ----------------------------------------------------------------
# classes for JPG, PNG, FFT makefile options
# makefile classes for CC, MPI, JPG, PNG, FFT settings
# ----------------------------------------------------------------
# Cc class
class Cc:
def __init__(self,list):
self.inlist = list[:]
self.compiler = self.abbrev = ""
self.wrap = self.wabbrev = ""
self.wwrap = ""
def help(self):
return """
-cc compiler wrap=wcompiler wwrap=wwcompiler
change CC setting in makefile
compiler is required, all other args are optional
compiler = any string with g++ or icc or icpc or nvcc
or mpi (or mpicxx, mpiCC, mpiicpc, etc)
can be compiler name or full path to compiler
mpi by itself is changed to mpicxx
wcompiler = g++ or icc or icpc or mpi (or mpicxx, mpiCC, mpiicpc, etc)
can only be used when compiler is a wrapper (mpi or nvcc)
mpi and variants can only be used with compiler = nvcc
mpi by itself is changed to mpicxx
specify compiler for wrapper to use in CC setting
wwcompiler = g++ or icc or icpc
can only be used when wcompiler is itself a wrapper (mpi)
specify compiler for wrapper of wrapper to use in CC setting
"""
def check(self):
if len(self.inlist) < 1: error("-cc args are invalid")
self.compiler = self.inlist[0]
if self.compiler == "mpi":
self.compiler = "mpicxx"
self.abbrev = "mpi"
elif self.compiler.startswith("mpi"):
self.abbrev = "mpi"
elif self.compiler == "g++" or self.compiler == "icc" or \
self.compiler == "icpc" or self.compiler == "nvcc":
self.abbrev = self.compiler
elif "mpi" in self.compiler: self.abbrev = "mpi"
elif "g++" in self.compiler: self.abbrev = "g++"
elif "icc" in self.compiler: self.abbrev = "icc"
elif "icpc" in self.compiler: self.abbrev = "icpc"
elif "nvcc" in self.compiler: self.abbrev = "nvcc"
else: error("-cc args are invalid")
for one in self.inlist[1:]:
words = one.split('=')
if len(words) != 2: error("-cc args are invalid")
if words[0] == "wrap":
if self.abbrev != "mpi" and self.abbrev != "nvcc":
error("-cc compiler is not a wrapper")
self.wrap = words[1]
if self.wrap == "mpi":
self.wrap = "mpicxx"
self.wabbrev = "mpi"
elif self.wrap.startswith("mpi"):
self.wabbrev = "mpi"
elif self.compiler == "g++" or self.compiler == "icc" or \
self.compiler == "icpc":
self.wabbrev = self.wrap
elif words[0] == "wwrap":
self.wwrap = words[1]
if self.wabbrev != "mpi": error("-cc wrap is not a wrapper")
if self.wwrap != "g++" and self.wwrap != "icc" and self.wwrap != "icpc":
error("-cc args are invalid")
else: error("-cc args are invalid")
# Mpi class
class Mpi:
def __init__(self,list):
self.inlist = list[:]
self.style = self.dir = ""
def help(self):
return """
-mpi style dir=path
change MPI settings in makefile
style is required, all other args are optional
style = mpi or mpich or ompi or serial
mpi = no MPI settings (assume compiler is MPI wrapper)
mpich = use explicit settings for MPICH
ompi = use explicit settings for OpenMPI
serial = use settings for src/STUBS library
dir = path for MPICH or OpenMPI directory
add -I and -L settings for include and lib sub-dirs
"""
def check(self):
if len(self.inlist) < 1: error("-mpi args are invalid")
self.style = self.inlist[0]
if self.style != "mpi" and self.style != "mpich" and \
self.style != "ompi" and self.style != "serial":
error("-mpi args are invalid")
for one in self.inlist[1:]:
words = one.split('=')
if len(words) != 2: error("-mpi args are invalid")
if words[0] == "dir": self.dir = words[1]
else: error("-mpi args are invalid")
# Fft class
class Fft:
def __init__(self,list):
self.inlist = list[:]
self.dir = self.incdir = self.libdir = ""
def help(self):
return """
-fft mode lib=libname dir=homedir idir=incdir ldir=libdir
change FFT settings in makefile
mode is required, all other args are optional
removes all current FFT variable settings
mode = none or fftw or ...
adds -DFFT_MODE setting
lib = name of FFT library to link with (def is libname = mode)
adds -lliblibname setting
dir = home dir for include and library files (def = none)
adds -Idir/include and -Ldir/lib settings
if set, overrides idir and ldir args
idir = dir for include file (def = none)
adds -Iidir setting
ldir = dir for library file (def = none)
adds -Lldir setting
"""
def check(self):
if not len(self.inlist): error("-fft args are invalid")
self.mode = self.inlist[0]
self.lib = "-l%s" % self.mode
for one in self.inlist[1:]:
words = one.split('=')
if len(words) != 2: error("-fft args are invalid")
if words[0] == "lib": self.lib = "-l%s" % words[1]
elif words[0] == "dir": self.dir = words[1]
elif words[0] == "idir": self.incdir = words[1]
elif words[0] == "ldir": self.libdir = words[1]
else: error("-fft args are invalid")
# Jpg class
class Jpg:
@ -1298,6 +1565,7 @@ class Jpg:
def help(self):
return """
-jpg flag dir=homedir idir=incdir ldir=libdir
change JPG settings in makefile
all args are optional, flag must come first if specified
flag = yes or no (def = yes)
include or exclude JPEG support
@ -1334,6 +1602,7 @@ class Png:
def help(self):
return """
-png flag dir=homedir idir=incdir ldir=libdir
change PNG settings in makefile
all args are optional, flag must come first if specified
flag = yes or no (def = yes)
include or exclude PNG support
@ -1359,44 +1628,6 @@ class Png:
elif words[0] == "ldir": self.libdir = words[1]
else: error("-png args are invalid")
# Fft class
class Fft:
def __init__(self,list):
self.inlist = list[:]
self.dir = self.incdir = self.libdir = ""
def help(self):
return """
-fft mode lib=libname dir=homedir idir=incdir ldir=libdir
mode is required, all other args are optional
removes all current FFT variable settings
mode = none or fftw or ...
adds -DFFT_MODE setting
lib = name of FFT library to link with (def is libname = mode)
adds -lliblibname setting
dir = home dir for include and library files (def = none)
adds -Idir/include and -Ldir/lib settings
if set, overrides idir and ldir args
idir = dir for include file (def = none)
adds -Iidir setting
ldir = dir for library file (def = none)
adds -Lldir setting
"""
def check(self):
if not len(self.inlist): error("-fft args are invalid")
self.mode = self.inlist[0]
self.lib = "-l%s" % self.mode
for one in self.inlist[1:]:
words = one.split('=')
if len(words) != 2: error("-fft args are invalid")
if words[0] == "lib": self.lib = "-l%s" % words[1]
elif words[0] == "dir": self.dir = words[1]
elif words[0] == "idir": self.incdir = words[1]
elif words[0] == "ldir": self.libdir = words[1]
else: error("-fft args are invalid")
# ----------------------------------------------------------------
# auxiliary classes
# ----------------------------------------------------------------
@ -1436,18 +1667,20 @@ class MakeReader:
# discard any portion of value string with a comment char
# varinfo = list of variable info: (name, name with whitespace for print)
# add index into varinfo to newlines
# addindex = index of LAMMPS-specific line to add KOKKOS vars before it
# ccindex = index of "CC =" line, to add OMPI var before it
# lmpindex = index of "LAMMPS-specific settings" line to add KOKKOS vars before it
var = {}
varinfo = []
newlines = []
pattern = "(\S+\s+=\s+)(.*)"
multiline = 0
self.addindex = 0
self.ccindex = self.lmpindex = 0
for line in lines:
line = line[:-1]
if "LAMMPS-specific settings" in line: self.addindex = len(newlines)
if "CC =" in line: self.ccindex = len(newlines)
if "LAMMPS-specific settings" in line: self.lmpindex = len(newlines)
if multiline:
if '#' in line: line = line[:line.find('#')]
morevalues = line.split()
@ -1501,17 +1734,28 @@ class MakeReader:
# add value to var
# do not add if value already defined by var
# if var not defined,
# create new variable 2 lines before LAMMPS-specific settings section
# create new variable using where
# where="cc", line before "CC =" line, use ":="
# where="lmp", 2 lines before "LAMMPS-specific settings" line, use "="
def addvar(self,var,value):
def addvar(self,var,value,where=""):
if var in self.var:
if value not in self.var[var]: self.var[var].append(value)
else:
if self.addindex == 0: error("No LAMMPS-specific settings line " +
"in makefile, needed to add a variable")
if not where:
error("Variable %s with value %s is not in makefile" % (var,value))
if where == "cc":
if not self.ccindex: error("No 'CC =' line in makefile to add variable")
index = self.ccindex
varwhite = "%s :=\t\t" % var
elif where == "lmp":
if not self.lmpindex: error("No 'LAMMPS-specific settings line' " +
"in makefile to add variable")
index = self.lmpindex - 2
varwhite = "%s =\t\t" % var
self.var[var] = [value]
varwhite = "%s =\t\t" % var
self.lines.insert(self.addindex-2,str(len(self.varinfo)))
self.lines.insert(index,str(len(self.varinfo)))
self.varinfo.append((var,varwhite))
# if value = None, remove entire var
@ -1581,15 +1825,9 @@ if 'r' in cmd_switches and 'h' not in cmd_switches:
redoflag = 1
redo = Redo(cmd_switches['r'])
redo.check()
if 'd' in cmd_switches:
dir = Dir(cmd_switches['d'])
dir.check()
else: dir = Dir(None)
dir.setup()
redo.setup()
redolist = redo.commands
redoindex = 0
del dir
del redo
if not redolist: error("No commands to execute from redo file")
@ -1639,7 +1877,7 @@ while 1:
for one in switchclasses: exec("%s = None" % one)
for one in libclasses: exec("%s = None" % one)
for one in buildclasses: exec("%s = None" % one)
for one in optionclasses: exec("%s = None" % one)
for one in makeclasses: exec("%s = None" % one)
# classes = dictionary of created classes
# key = switch, value = class instance
@ -1663,11 +1901,11 @@ while 1:
txt = '%s = classes["%s"] = %s(switches["%s"])' % \
(buildclasses[i],switch,capitalized,switch)
exec(txt)
elif switch in optionclasses:
i = optionclasses.index(switch)
capitalized = optionclasses[i][0].upper() + optionclasses[i][1:]
elif switch in makeclasses:
i = makeclasses.index(switch)
capitalized = makeclasses[i][0].upper() + makeclasses[i][1:]
txt = '%s = classes["%s"] = %s(switches["%s"])' % \
(optionclasses[i],switch,capitalized,switch)
(makeclasses[i],switch,capitalized,switch)
exec(txt)
else: error("Unknown command-line switch -%s" % switch)
@ -1730,7 +1968,7 @@ while 1:
for action in actions.alist:
print "Action %s ..." % action
if action.startswith("lib-"): actions.lib(action[4:])
elif action == "file": actions.file(1)
elif action == "file": actions.file("file")
elif action == "clean": actions.clean()
elif action == "exe": actions.exe()