def run(num=1, time=30, direct = 'profile_data/test/'):
startup.init(False) #False = no splash screen
#Startup has to happen before other imports that use resources.
from core import player
from core.game import game
#Filenames
field_file = DEF.FIELD_FILE_DIRECTORY + "_benchmark.utf"
files = []
FPS = []
for n in xrange(0, num):
#Setup the game data.
player_descriptors = []
player_descriptors.append(player.PlayerDescriptor(DEF.PTYPE_CPU,team=1))
player_descriptors[0].name = "Player"
for i in range(0,15):
player_descriptors.append(player.PlayerDescriptor(DEF.PTYPE_CPU,team=i+2))
player_descriptors[i+1].name = DEF.PLAYER_NAMES[i]
#Run and profile.
direct
if not os.path.exists(direct):
os.makedirs(direct)
files.append(direct + PREFIX+ "_%d.prof" % n)
GAME = game.Game(field_file, player_descriptors)
cProfile.runctx("FPS.append(run_game(GAME, time))", globals(), {'GAME':GAME, 'FPS':FPS, 'time':time}, files[n])
startup.close()
return files, FPS
def run():
"""Run the Program"""
print "Initialization..."
startup.init()
print "Initialization Done"
import core.utils.definitions as DEF
from core.menus import main_menu
if DEF.PROFILE:
import hotshot
PROFILER = hotshot.Profile(DEF.PROFILER_FILE)
if DEF.PROFILE:
PROFILER.start()
main_menu.MainMenu().run()
#Cleanup.
print "Quiting...",
if DEF.PROFILE:
PROFILER.stop()
PROFILER.close()
startup.close()
print "Done"
import time
import datetime
import os
import teias_control
debug = os.getenv('DEBUG', 'false')
if debug == 'true':
recipients = ["*****@*****.**"]
else:
recipients = ["*****@*****.**"]
print("starting.Debug is :" + debug)
startup.tpys()
startup.init()
var = 1
while var == 1:
if debug == 'true':
time.sleep(10)
else:
time.sleep(600)
if control.is_there_new_announce(0) == 1:
screenshot.print_announcement(control.take_link(0))
for recipient in recipients:
mail.sendmail(recipient, control.take_link(0))
startup.init()
else:
from startup import init
if __name__ == '__main__':
init()
def main():
# fn = sys.argv[1]
# read_input(fn)
if glb.restart:
read_restart()
else:
init(rotate=True)
# First energy calc
glb.box_energy, loverlap = sumup(lrecip=True)
glb.energy_nokspace, loverlap = sumup(lrecip=False)
energy_acc = []
trans_acc = []
rot_acc = []
# Decide whether to continue run or overwrite
write_xyz("ewald-test.xyz", (not glb.continue_run))
# Monte Carlo!
for cycle in range(glb.number_of_cycles):
for step in range(glb.number_of_molecules):
# Pick what kind of move to perform
move = np.random.random()
if move < glb.trans_prob:
t = trans_move()
trans_acc.append(t)
else:
r = rigid_rot_move()
rot_acc.append(r)
if cycle % glb.iwrite == 0:
write_xyz("ewald-test.xyz", False)
if cycle % glb.ienrg == 0:
etmp, lovr = sumup(lrecip=True)
energy_acc.append(etmp)
# Overwrite last restart file
write_xyz("restart.xyz", True)
if glb.number_of_cycles > 0:
with open("ewald-test.out", "w") as out:
out.write("Simulation Information\n")
out.write("Number of molecules: {}\n".format(
glb.number_of_molecules))
out.write("Temperature [K]: {}\n".format(glb.temperature))
out.write("Box Length [A]: {}\n".format(glb.box_length))
out.write("\nForce Field Information\n")
out.write("Coulomb Calc. Type: {}\n".format(glb.qtype))
if glb.qtype == "Ewald":
out.write("num. k vectors: {}\n".format(glb.nkvec))
out.write("Tail Corrections: {}\n".format(glb.ltailc))
out.write("\nResults\n")
out.write("Trans. Acceptance : {:<16.4f}\n".format(
np.mean(trans_acc) * 100))
out.write("Rot. Acceptance : {:<16.4f}\n".format(
np.mean(rot_acc) * 100))
out.write("Average Energy [K]: {:<16.4f} {:<16.4f}\n".format(
np.mean(energy_acc), np.std(energy_acc, ddof=1)))
