For some reason, the second time (?!) the code hits this line:
https://github.com/stefanch/sGDML/blob/master/sgdml/utils/desc.py#L345
during sgdml all, multiprocessing imap blocks the execution and ctrl+c gives this backtrace:
^C[CRIT] Traceback (most recent call last):
File "/usr/lib/python3.9/multiprocessing/pool.py", line 853, in next
item = self._items.popleft()
IndexError: pop from an empty deque
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/home/pie/Venvs/sgdmlenv/lib/python3.9/site-packages/sgdml/cli.py", line 1083, in train
model = gdml_train.train(
File "/home/pie/Venvs/sgdmlenv/lib/python3.9/site-packages/sgdml/train.py", line 927, in train
R_desc, R_d_desc = desc.from_R(
File "/home/pie/Venvs/sgdmlenv/lib/python3.9/site-packages/sgdml/utils/desc.py", line 345, in from_R
map_func(partial(_from_r, lat_and_inv=lat_and_inv), R)
File "/usr/lib/python3.9/multiprocessing/pool.py", line 858, in next
self._cond.wait(timeout)
File "/usr/lib/python3.9/threading.py", line 312, in wait
waiter.acquire()
KeyboardInterrupt
Disabling parallelism in this function is an acceptable workaround (not much time spent here).
Using numpy compiled with MKL support and 12 cores.
For some reason, the second time (?!) the code hits this line:
https://github.com/stefanch/sGDML/blob/master/sgdml/utils/desc.py#L345
during
sgdml all, multiprocessing imap blocks the execution and ctrl+c gives this backtrace:Disabling parallelism in this function is an acceptable workaround (not much time spent here).
Using numpy compiled with MKL support and 12 cores.