| 9:58:14 AM PDT - Tue, Apr 23rd 2013 |
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| The key to bringing cpu and wall time close is to reduce the amount of data written to disk. In the DFT module and input you can reduce disk usage by defining the keywords "direct", "noio" and "grid nodisk", especially if you have a functional with exact exchange. For TDDFT, the calculation tries to store the data in memory, and if it runs out of memory it stores to disk. Here, increasing the global memory per core might help.
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