In [4]:

    

import numpy as np
from dask import do
import dask.array as da
import dask.multiprocessing
from pycalphad import Database, calculate
db_alfe = Database('alfe_sei.TDB')
my_phases_alfe = ['LIQUID', 'HCP_A3', 'AL5FE2', 'AL2FE', 'AL5FE4', 'FCC_A1', 'B2_BCC', 'AL13FE4']


    

In [7]:

    

def da_calc(db_alfe, my_phases_alfe, temp, press):
    calculate(db_alfe, ['AL', 'FE', 'VA'], my_phases_alfe, mode='numpy', output='GM', T=temp, P=press)
    return np.eye(1)

dsk = {}
temp = [300] * 2
press = [1e5] * 2
num_tasks_x = len(temp)
num_tasks_y = len(press)

for idx_x in range(num_tasks_x):
    for idx_y in range(num_tasks_y):
        dsk[('x', idx_x, idx_y)] = (da_calc, db_alfe, my_phases_alfe, temp[idx_x], press[idx_y])

chunks = (tuple(np.ones(num_tasks_x)), tuple(np.ones(num_tasks_y)))
chunks_big = (tuple([5] * (num_tasks_x//5)), tuple([5] * (num_tasks_y//5)))

x = da.Array(dsk, 'x', chunks)
#%timeit x.compute(get=dask.async.get_sync)
#%timeit x.compute(get=dask.threaded.get)
#y = da.Array(dsk, 'x', chunks_big)
%time x.compute(get=dask.async.get_sync)
%time x.compute(get=dask.threaded.get)


    

    




CPU times: user 4.19 s, sys: 0 ns, total: 4.19 s
Wall time: 4.2 s






    




---------------------------------------------------------------------------
RuntimeError                              Traceback (most recent call last)
<ipython-input-7-ba78c0a4710c> in <module>()
     21 #y = da.Array(dsk, 'x', chunks_big)
     22 get_ipython().magic('time x.compute(get=dask.async.get_sync)')
---> 23 get_ipython().magic('time x.compute(get=dask.threaded.get)')

/home/rotis/anaconda/envs/calphadpy3/lib/python3.5/site-packages/IPython/core/interactiveshell.py in magic(self, arg_s)
   2334         magic_name, _, magic_arg_s = arg_s.partition(' ')
   2335         magic_name = magic_name.lstrip(prefilter.ESC_MAGIC)
-> 2336         return self.run_line_magic(magic_name, magic_arg_s)
   2337 
   2338     #-------------------------------------------------------------------------

/home/rotis/anaconda/envs/calphadpy3/lib/python3.5/site-packages/IPython/core/interactiveshell.py in run_line_magic(self, magic_name, line)
   2255                 kwargs['local_ns'] = sys._getframe(stack_depth).f_locals
   2256             with self.builtin_trap:
-> 2257                 result = fn(*args,**kwargs)
   2258             return result
   2259 

<decorator-gen-60> in time(self, line, cell, local_ns)

/home/rotis/anaconda/envs/calphadpy3/lib/python3.5/site-packages/IPython/core/magic.py in <lambda>(f, *a, **k)
    191     # but it's overkill for just that one bit of state.
    192     def magic_deco(arg):
--> 193         call = lambda f, *a, **k: f(*a, **k)
    194 
    195         if callable(arg):

/home/rotis/anaconda/envs/calphadpy3/lib/python3.5/site-packages/IPython/core/magics/execution.py in time(self, line, cell, local_ns)
   1161         if mode=='eval':
   1162             st = clock2()
-> 1163             out = eval(code, glob, local_ns)
   1164             end = clock2()
   1165         else:

<timed eval> in <module>()

/home/rotis/anaconda/envs/calphadpy3/lib/python3.5/site-packages/dask/base.py in compute(self, **kwargs)
     35 
     36     def compute(self, **kwargs):
---> 37         return compute(self, **kwargs)[0]
     38 
     39     @classmethod

/home/rotis/anaconda/envs/calphadpy3/lib/python3.5/site-packages/dask/base.py in compute(*args, **kwargs)
    108                 for opt, val in groups.items()])
    109     keys = [var._keys() for var in variables]
--> 110     results = get(dsk, keys, **kwargs)
    111 
    112     results_iter = iter(results)

/home/rotis/anaconda/envs/calphadpy3/lib/python3.5/site-packages/dask/threaded.py in get(dsk, result, cache, num_workers, **kwargs)
     55     results = get_async(pool.apply_async, len(pool._pool), dsk, result,
     56                         cache=cache, queue=queue, get_id=_thread_get_id,
---> 57                         **kwargs)
     58 
     59     return results

/home/rotis/anaconda/envs/calphadpy3/lib/python3.5/site-packages/dask/async.py in get_async(apply_async, num_workers, dsk, result, cache, queue, get_id, raise_on_exception, rerun_exceptions_locally, callbacks, **kwargs)
    479                 _execute_task(task, data)  # Re-execute locally
    480             else:
--> 481                 raise(remote_exception(res, tb))
    482         state['cache'][key] = res
    483         finish_task(dsk, key, state, results, keyorder.get)

RuntimeError: cannot release un-acquired lock

Traceback
---------
  File "/home/rotis/anaconda/envs/calphadpy3/lib/python3.5/site-packages/dask/async.py", line 264, in execute_task
    result = _execute_task(task, data)
  File "/home/rotis/anaconda/envs/calphadpy3/lib/python3.5/site-packages/dask/async.py", line 246, in _execute_task
    return func(*args2)
  File "<ipython-input-7-ba78c0a4710c>", line 2, in da_calc
    calculate(db_alfe, ['AL', 'FE', 'VA'], my_phases_alfe, mode='numpy', output='GM', T=temp, P=press)
  File "/home/rotis/git/pycalphad/pycalphad/core/calculate.py", line 216, in calculate
    out = getattr(mod, output)
  File "/home/rotis/git/pycalphad/pycalphad/model.py", line 117, in <lambda>
    energy = GM = property(lambda self: self.ast)
  File "/home/rotis/git/pycalphad/pycalphad/model.py", line 108, in ast
    return Add(*list(self.models.values()))

In [6]:

    

temp = [300, 1300, 1400, 1500, 1600, 1700, 1800, 1900, 2000, 2100] * 5
press = [1e5, 2e5, 3e5, 4e5, 5e5] * 5
%time calculate(db_alfe, ['AL', 'FE', 'VA'], my_phases_alfe, mode='numpy', output='GM', T=temp, P=press)


    

    




CPU times: user 16 s, sys: 5.92 s, total: 22 s
Wall time: 21.9 s






    
Out[6]:





<xarray.Dataset>
Dimensions:       (P: 25, T: 50, component: 2, internal_dof: 5, points: 16018)
Coordinates:
  * P             (P) float64 1e+05 2e+05 3e+05 4e+05 5e+05 1e+05 2e+05 ...
  * component     (component) <U2 'AL' 'FE'
  * T             (T) float64 300.0 1.3e+03 1.4e+03 1.5e+03 1.6e+03 1.7e+03 ...
  * internal_dof  (internal_dof) int64 0 1 2 3 4
  * points        (points) int64 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 ...
Data variables:
    Phase         (P, T, points) <U7 'AL13FE4' 'AL13FE4' 'AL13FE4' 'AL13FE4' ...
    GM            (P, T, points) float64 -3.543e+04 -3.638e+04 -3.586e+04 ...
    Y             (P, T, points, internal_dof) float64 1.0 1.0 1.0 0.0 nan ...
    X             (P, T, points, component) float64 0.765 0.235 0.7275 ...

In [ ]: