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import numpy as np
import time
from md_nnps_periodic import MDNNPSSolverPeriodic
from compyle.config import get_config
from hoomd_periodic import simulate
def solve(n, backend, tf=4., dt=0.02, use_count_sort=False):
if backend == 'hoomd':
return simulate(n, dt, tf)
else:
solver = MDNNPSSolverPeriodic(
n, dx=2., backend=backend, use_count_sort=use_count_sort)
start = time.time()
solver.solve(tf, dt)
end = time.time()
print("Time taken for backend = %s, N = %i is %g secs" %
(backend, n, (end - start)))
return end - start
def compare(backends, n_list, niter=3, use_count_sort=False):
t_list = {b: [] for b in backends}
speedups = {b: [] for b in backends}
for backend in backends:
for n in n_list:
print("Running for N = %i" % n)
t = 1e9
for it in range(niter):
t = min(t, solve(n, backend, use_count_sort=use_count_sort))
t_list[backend].append(t)
if 'hoomd' in backends:
for backend in backends:
for i, n in enumerate(n_list):
speedups[backend].append(
t_list['hoomd'][i] / t_list[backend][i])
else:
speedups = None
return speedups, t_list
def plot(n_list, speedups, t_list, label):
backend_label_map = {'hoomd': 'HooMD',
'opencl': 'OpenCL', 'cuda': 'CUDA'}
import matplotlib.pyplot as plt
plt.figure()
if speedups:
for backend, arr in speedups.items():
if backend == "hoomd":
continue
plt.semilogx(n_list, arr, 'x-', label=backend_label_map[backend])
plt.xlabel("Number of particles")
plt.ylabel("Speedup")
plt.legend()
plt.grid(True)
plt.savefig("%s_speedup_%s.png" %
(label, "_".join(speedups.keys())), dpi=300)
plt.clf()
for backend, arr in t_list.items():
plt.loglog(n_list, arr, 'x-', label=backend_label_map[backend])
plt.xlabel("Number of particles")
plt.ylabel("Time (secs)")
plt.legend()
plt.grid(True)
plt.savefig("%s_time_%s.png" % (label, "_".join(t_list.keys())), dpi=300)
if __name__ == "__main__":
from argparse import ArgumentParser
p = ArgumentParser()
p.add_argument(
'--use-count-sort', action='store_true', dest='use_count_sort',
default=False, help='Use count sort instead of radix sort'
)
o = p.parse_args()
n_list = [1000 * (2 ** i) for i in range(11)]
backends = ["cuda", "hoomd"]
print("Running for", n_list)
speedups, t_list = compare(backends, n_list,
use_count_sort=o.use_count_sort)
plot(n_list, speedups, t_list, "hoomd")
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