The memory required for this calculation exceeds machine capacity.
Unable to continue. Run will be ABORTED.
Suggestions:
Check the run setup is reasonable; in particular cell dimensions,
number of atoms, plane wave cutoff all affect memory consumption.
Investigate the parameters "opt_strategy"/"opt_strategy_bias" and
"page_wvfns" which may be used to reduce memory requirements.
If the calculation is being run on a distributed memory computer
consider increasing the number of processors.
It may be necessary to run this calculation on another computer
with more RAM or upgrade the physical RAM on the current system.
I'm not quite sure what your question is, but I can explain what's happening anyway: CASTEP needs more RAM for that calculation than your computer has. It's difficult to help you without knowing a bit more information; could you please tell us:
1. How much RAM your computer has;
2. What CASTEP's RAM estimate was (in the .castep file);
3. The cut-off energy, k-point sampling and number of bands;
4. Which exchange-correlation functional you were using;
5. Which of the suggestions in the message you have tried, and what effect they had;
6. How many MPI processes you were using (and if you're using threading as well then how many threads per process you were using).
All the best,
Phil Hasnip
(CASTEP Developer)
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