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[WIP] simple demo for multi-node processing on a single node #4

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[WIP] simple demo for multi-node processing on a single node #4

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4 changes: 2 additions & 2 deletions src/deeperwin/optimization.py
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Original file line number Diff line number Diff line change
Expand Up @@ -122,7 +122,7 @@ def optimize_wavefunction(

# Run burn-in of monte carlo chain
LOGGER.debug(f"Starting burn-in for optimization: {opt_config.mcmc.n_burn_in} steps")
n_devices = jax.device_count()
n_devices = jax.local_device_count()
log_psi_squared_pmapped = jax.pmap(log_psi_squared)

mcmc = MetropolisHastingsMonteCarlo(opt_config.mcmc)
Expand Down Expand Up @@ -216,7 +216,7 @@ def log_psi_squared_func(params, r, R, Z, fixed_params):

# Init MCMC
logging.debug(f"Starting pretraining...")
n_devices = jax.device_count()
n_devices = jax.local_device_count()
mcmc = MetropolisHastingsMonteCarlo(config.mcmc)
mcmc_state = MCMCState.resize_or_init(mcmc_state, config.mcmc.n_walkers, phys_config, n_devices)

Expand Down
5 changes: 5 additions & 0 deletions src/deeperwin/process_molecule.py
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Expand Up @@ -18,6 +18,10 @@ def process_molecule(config_file):
if config.computation.force_device_count and config.computation.n_devices:
os.environ['XLA_FLAGS'] = f'--xla_force_host_platform_device_count={config.computation.n_devices}'

from jax import distributed
process_id = int(os.environ['CUDA_VISIBLE_DEVICES'])
distributed.initialize('0.0.0.0:8888', 2, process_id)

# These imports can only take place after we have set the jax_config options
from jax.config import config as jax_config
jax_config.update("jax_enable_x64", config.computation.float_precision == "float64")
Expand All @@ -38,6 +42,7 @@ def process_molecule(config_file):
used_hardware = xla_bridge.get_backend().platform
logger.debug(f"CUDA_VISIBLE_DEVICES={os.environ.get('CUDA_VISIBLE_DEVICES')}")
logger.debug(f"Used hardware: {used_hardware}; Device count: {jax.local_device_count()}")
logger.debug(f"Used hardware in total: {used_hardware}; Device count: {jax.device_count()}")
if not config.computation.n_devices:
config.computation.n_devices = jax.local_device_count()
else:
Expand Down