def _create_exec_conf():
global exec_conf, options, msg
# use a cached execution configuration if available
if exec_conf is not None:
return exec_conf
mpi_available = _hoomd.is_MPI_available()
# error out on nyx/flux if the auto mode is set
if options.mode == 'auto':
host = _get_proc_name()
if "flux" in host or "nyx" in host:
msg.error(
"--mode=gpu or --mode=cpu must be specified on nyx/flux\n")
raise RuntimeError("Error initializing")
exec_mode = _hoomd.ExecutionConfiguration.executionMode.AUTO
elif options.mode == "cpu":
exec_mode = _hoomd.ExecutionConfiguration.executionMode.CPU
elif options.mode == "gpu":
exec_mode = _hoomd.ExecutionConfiguration.executionMode.GPU
else:
raise RuntimeError("Invalid mode")
# convert None options to defaults
if options.gpu is None:
gpu_id = -1
else:
gpu_id = int(options.gpu)
if options.nrank is None:
nrank = 0
else:
nrank = int(options.nrank)
# create the specified configuration
exec_conf = _hoomd.ExecutionConfiguration(exec_mode, gpu_id,
options.min_cpu,
options.ignore_display, msg,
nrank)
# if gpu_error_checking is set, enable it on the GPU
if options.gpu_error_checking:
exec_conf.setCUDAErrorChecking(True)
if _hoomd.is_TBB_available():
# set the number of TBB threads as necessary
if options.nthreads != None:
exec_conf.setNumThreads(options.nthreads)
exec_conf = exec_conf
return exec_conf
def __init__(self,
num_cpu_threads=None,
communicator=None,
msg_file=None,
notice_level=2):
super().__init__(communicator, notice_level, msg_file)
self._cpp_exec_conf = _hoomd.ExecutionConfiguration(
_hoomd.ExecutionConfiguration.executionMode.CPU, [],
self.communicator.cpp_mpi_conf, self._cpp_msg)
if num_cpu_threads is not None:
self.num_cpu_threads = num_cpu_threads
def __init__(self,
nthreads=None,
communicator=None,
msg_file=None,
shared_msg_file=None,
notice_level=2):
_device.__init__(self, communicator, notice_level, msg_file,
shared_msg_file)
_init_nthreads(nthreads)
self.cpp_exec_conf = _hoomd.ExecutionConfiguration(
_hoomd.ExecutionConfiguration.executionMode.AUTO,
_hoomd.std_vector_int(), False, False, self.comm.cpp_mpi_conf,
self.cpp_msg)
def __init__(self,
gpu_ids=None,
num_cpu_threads=None,
communicator=None,
msg_file=None,
notice_level=2):
super().__init__(communicator, notice_level, msg_file)
if gpu_ids is None:
gpu_ids = []
# convert None options to defaults
self._cpp_exec_conf = _hoomd.ExecutionConfiguration(
_hoomd.ExecutionConfiguration.executionMode.GPU, gpu_ids,
self.communicator.cpp_mpi_conf, self._cpp_msg)
if num_cpu_threads is not None:
self.num_cpu_threads = num_cpu_threads
def _create_exec_conf(mpi_config, msg, options):
global exec_conf
# use a cached execution configuration if available
if exec_conf is not None:
return exec_conf
if options.mode == 'auto':
exec_mode = _hoomd.ExecutionConfiguration.executionMode.AUTO;
elif options.mode == "cpu":
exec_mode = _hoomd.ExecutionConfiguration.executionMode.CPU;
elif options.mode == "gpu":
exec_mode = _hoomd.ExecutionConfiguration.executionMode.GPU;
else:
raise RuntimeError("Invalid mode");
# convert None options to defaults
if options.gpu is None:
gpu_id = [];
else:
gpu_id = options.gpu;
gpu_vec = _hoomd.std_vector_int()
for gpuid in gpu_id:
gpu_vec.append(gpuid)
# create the specified configuration
exec_conf = _hoomd.ExecutionConfiguration(exec_mode, gpu_vec, options.min_cpu, options.ignore_display, mpi_conf, msg);
# if gpu_error_checking is set, enable it on the GPU
if options.gpu_error_checking:
exec_conf.setCUDAErrorChecking(True);
if _hoomd.is_TBB_available():
# set the number of TBB threads as necessary
if options.nthreads != None:
exec_conf.setNumThreads(options.nthreads)
exec_conf = exec_conf;
return exec_conf;
def __init__(self,
gpu_ids=None,
communicator=None,
msg_file=None,
shared_msg_file=None,
notice_level=2):
_device.__init__(self, communicator, notice_level, msg_file,
shared_msg_file)
# convert None options to defaults
if gpu_ids is None:
gpu_id = []
else:
gpu_id = gpu_ids
gpu_vec = _hoomd.std_vector_int()
for gpuid in gpu_id:
gpu_vec.append(gpuid)
self.cpp_exec_conf = _hoomd.ExecutionConfiguration(
_hoomd.ExecutionConfiguration.executionMode.GPU, gpu_vec, False,
False, self.comm.cpp_mpi_conf, self.cpp_msg)
def _create_exec_conf(mpi_comm):
global exec_conf, options, msg
# use a cached execution configuration if available
if exec_conf is not None:
return exec_conf
mpi_available = _hoomd.is_MPI_available()
if options.mode == 'auto':
exec_mode = _hoomd.ExecutionConfiguration.executionMode.AUTO
elif options.mode == "cpu":
exec_mode = _hoomd.ExecutionConfiguration.executionMode.CPU
elif options.mode == "gpu":
exec_mode = _hoomd.ExecutionConfiguration.executionMode.GPU
else:
raise RuntimeError("Invalid mode")
# convert None options to defaults
if options.gpu is None:
gpu_id = -1
else:
gpu_id = int(options.gpu)
if options.nrank is None:
nrank = 0
else:
nrank = int(options.nrank)
# create the specified configuration
if mpi_comm is None:
exec_conf = _hoomd.ExecutionConfiguration(exec_mode, gpu_id,
options.min_cpu,
options.ignore_display, msg,
nrank)
else:
if not mpi_available:
msg.error(
"mpi_comm provided, but MPI support was disabled at compile time\n"
)
raise RuntimeError("mpi_comm is not supported in serial builds")
handled = False
# pass in pointer to MPI_Comm object provided by mpi4py
try:
import mpi4py
if isinstance(mpi_comm, mpi4py.MPI.Comm):
addr = mpi4py.MPI._addressof(mpi_comm)
exec_conf = _hoomd.ExecutionConfiguration._make_exec_conf_mpi_comm(
exec_mode, gpu_id, options.min_cpu, options.ignore_display,
msg, nrank, addr)
handled = True
except ImportError:
# silently ignore when mpi4py is missing
pass
# undocumented case: handle plain integers as pointers to MPI_Comm objects
if not handled and isinstance(mpi_comm, int):
exec_conf = _hoomd.ExecutionConfiguration._make_exec_conf_mpi_comm(
exec_mode, gpu_id, options.min_cpu, options.ignore_display,
msg, nrank, mpi_comm)
handled = True
if not handled:
msg.error("unknown mpi_comm object: {}.\n".format(mpi_comm))
raise RuntimeError("Invalid mpi_comm object")
# if gpu_error_checking is set, enable it on the GPU
if options.gpu_error_checking:
exec_conf.setCUDAErrorChecking(True)
if _hoomd.is_TBB_available():
# set the number of TBB threads as necessary
if options.nthreads != None:
exec_conf.setNumThreads(options.nthreads)
exec_conf = exec_conf
return exec_conf
