Added functionality for the user to specify cores via --cores

cooperative-computing-lab / awe

Accelerated Weighted Ensemble (AWE) provides a Python library for adaptive sampling of molecular dynamics.

http://www.nd.edu/~ccl/software/awe

GNU General Public License v2.0

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Closed LydiaBrothers closed 8 years ago

LydiaBrothers commented 8 years ago

Altered awe/workqueue.py and scripts/awe-wq to allow the user to specify at the top level the number of cores to be utilized per worker.