[AMBER] Amber/ Orca problem

From: Aixiao Li <li.ibpc.fr>
Date: Tue, 9 Sep 2014 13:11:12 +0200 (CEST)

Hi ,

We have the Amber14 installed that fixes problems with QM/MM calculations with Orca, however I was not able to get it run Orca in parallel, when I set the num_threads larger than 1, Orca doesn't work.
Could someone give me some advice?


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Received on Tue Sep 09 2014 - 05:00:02 PDT
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