def __init__(self,
mc,
r_cut,
code=None,
llvm_ir_file=None,
clang_exec=None):
hoomd.util.print_status_line()
# check if initialization has occurred
if hoomd.context.exec_conf is None:
hoomd.context.msg.error(
"Cannot create patch energy before context initialization\n")
raise RuntimeError('Error creating patch energy')
if clang_exec is not None:
clang = clang_exec
else:
clang = find_executable('clang')
if code is not None:
llvm_ir = self.compile_user(code, clang)
else:
# IR is a text file
with open(llvm_ir_file, 'r') as f:
llvm_ir = f.read()
self.compute_name = "patch_union"
self.cpp_evaluator = _jit.PatchEnergyJITUnion(
hoomd.context.current.system_definition, hoomd.context.exec_conf,
llvm_ir, r_cut)
mc.set_PatchEnergyEvaluator(self)
self.mc = mc
self.enabled = True
self.log = False
def __init__(self,
mc,
r_cut,
array_size=1,
code=None,
llvm_ir_file=None,
r_cut_iso=None,
code_iso=None,
llvm_ir_file_iso=None,
array_size_iso=1,
clang_exec=None):
# check if initialization has occurred
hoomd.context._verify_init()
if clang_exec is not None:
clang = clang_exec
else:
clang = 'clang'
if code is not None:
llvm_ir = self.compile_user(array_size_iso, array_size, code,
clang)
else:
# IR is a text file
with open(llvm_ir_file, 'r') as f:
llvm_ir = f.read()
if code_iso is not None:
llvm_ir_iso = self.compile_user(array_size_iso, array_size,
code_iso, clang)
else:
if llvm_ir_file_iso is not None:
# IR is a text file
with open(llvm_ir_file_iso, 'r') as f:
llvm_ir_iso = f.read()
else:
# provide a dummy function
llvm_ir_iso = self.compile_user(array_size_iso, array_size,
'return 0;', clang)
if r_cut_iso is None:
r_cut_iso = -1.0
self.compute_name = "patch_union"
self.cpp_evaluator = _jit.PatchEnergyJITUnion(
hoomd.context.current.system_definition,
hoomd.context.current.device.cpp_exec_conf, llvm_ir_iso, r_cut_iso,
array_size_iso, llvm_ir, r_cut, array_size)
mc.set_PatchEnergyEvaluator(self)
self.mc = mc
self.enabled = True
self.log = False
self.cpp_evaluator.alpha_iso[:] = [0] * array_size_iso
self.cpp_evaluator.alpha_union[:] = [0] * array_size
self.alpha_iso = self.cpp_evaluator.alpha_iso[:]
self.alpha_union = self.cpp_evaluator.alpha_union[:]
def __init__(self, mc, r_cut, code=None, llvm_ir_file=None, r_cut_iso=None, code_iso=None,
llvm_ir_file_iso=None, clang_exec=None):
hoomd.util.print_status_line();
# check if initialization has occurred
if hoomd.context.exec_conf is None:
hoomd.context.msg.error("Cannot create patch energy before context initialization\n");
raise RuntimeError('Error creating patch energy');
if clang_exec is not None:
clang = clang_exec;
else:
clang = 'clang'
if code is not None:
llvm_ir = self.compile_user(code,clang)
else:
# IR is a text file
with open(llvm_ir_file,'r') as f:
llvm_ir = f.read()
if code_iso is not None:
llvm_ir_iso = self.compile_user(code_iso,clang)
else:
if llvm_ir_file_iso is not None:
# IR is a text file
with open(llvm_ir_file_iso,'r') as f:
llvm_ir_iso = f.read()
else:
# provide a dummy function
llvm_ir_iso = self.compile_user('return 0;',clang)
if r_cut_iso is None:
r_cut_iso = -1.0
self.compute_name = "patch_union"
self.cpp_evaluator = _jit.PatchEnergyJITUnion(hoomd.context.current.system_definition, hoomd.context.exec_conf,
llvm_ir_iso, r_cut_iso, llvm_ir, r_cut);
mc.set_PatchEnergyEvaluator(self);
self.mc = mc
self.enabled = True
self.log = False
def __init__(self,
mc,
r_cut,
array_size=1,
code=None,
llvm_ir_file=None,
r_cut_iso=None,
code_iso=None,
llvm_ir_file_iso=None,
array_size_iso=1,
clang_exec=None):
# check if initialization has occurred
hoomd.context._verify_init()
if clang_exec is not None:
clang = clang_exec
else:
clang = 'clang'
if code is not None:
llvm_ir = self.compile_user(array_size_iso, array_size, code,
clang)
else:
# IR is a text file
with open(llvm_ir_file, 'r') as f:
llvm_ir = f.read()
if code_iso is not None:
llvm_ir_iso = self.compile_user(array_size_iso, array_size,
code_iso, clang)
else:
if llvm_ir_file_iso is not None:
# IR is a text file
with open(llvm_ir_file_iso, 'r') as f:
llvm_ir_iso = f.read()
else:
# provide a dummy function
llvm_ir_iso = self.compile_user(array_size_iso, array_size,
'return 0;', clang)
if r_cut_iso is None:
r_cut_iso = -1.0
self.compute_name = "patch_union"
if hoomd.context.current.device.cpp_exec_conf.isCUDAEnabled():
include_path_hoomd = os.path.dirname(hoomd.__file__) + '/include'
include_path_source = hoomd._hoomd.__hoomd_source_dir__
include_path_cuda = _jit.__cuda_include_path__
options = [
"-I" + include_path_hoomd, "-I" + include_path_source,
"-I" + include_path_cuda
]
# use union evaluator
options += ["-DUNION_EVAL"]
cuda_devrt_library_path = _jit.__cuda_devrt_library_path__
# select maximum supported compute capability out of those we compile for
compute_archs = _jit.__cuda_compute_archs__
compute_archs_vec = _hoomd.std_vector_uint()
compute_capability = hoomd.context.current.device.cpp_exec_conf.getComputeCapability(
0) # GPU 0
compute_major, compute_minor = compute_capability.split('.')
max_arch = 0
for a in compute_archs.split('_'):
if int(a) < int(compute_major) * 10 + int(compute_major):
max_arch = int(a)
gpu_code = self.wrap_gpu_code(code)
self.cpp_evaluator = _jit.PatchEnergyJITUnionGPU(
hoomd.context.current.system_definition,
hoomd.context.current.device.cpp_exec_conf, llvm_ir_iso,
r_cut_iso, array_size_iso, llvm_ir, r_cut, array_size,
gpu_code, "hpmc::gpu::kernel::hpmc_narrow_phase_patch",
options, cuda_devrt_library_path, max_arch)
else:
self.cpp_evaluator = _jit.PatchEnergyJITUnion(
hoomd.context.current.system_definition,
hoomd.context.current.device.cpp_exec_conf, llvm_ir_iso,
r_cut_iso, array_size_iso, llvm_ir, r_cut, array_size)
mc.set_PatchEnergyEvaluator(self)
self.mc = mc
self.enabled = True
self.log = False
self.cpp_evaluator.alpha_iso[:] = [0] * array_size_iso
self.cpp_evaluator.alpha_union[:] = [0] * array_size
self.alpha_iso = self.cpp_evaluator.alpha_iso[:]
self.alpha_union = self.cpp_evaluator.alpha_union[:]