QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: rinni on August 16, 2009, 18:50

Title: increase memory space
Post by: rinni on August 16, 2009, 18:50

How do I increase the memory dedicated for calculation in the software so as to save on time ???

Title: Re: increase memory space
Post by: Anders Blom on August 16, 2009, 20:09

ATK has no such setting, as other software packages do. ATK will automatically use all the memory available on the computer, since it allocates memory dynamically.

You can however save time by running the calculation in parallel. Also always ensure that threading is enabled, as described in the manual (http://www.quantumwise.com/documents/manuals/ATK-2008.10/chap.parallel.html#sect1.parallel.mkl_threading).