[sassie-web/sassie2-feedback][suggestion] 'SasCal ' xin.gao.15@ucl.ac.uk

[genapp.not...@gmail.com]

subject : SasCal
from : xingaoucl
email : xin.g...@ucl.ac.uk
level : suggestion
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Dear SASSIE—web: I was trying to run SAScale with my TAMC run DCD file, which contains 337270 frams. The run stopped and gave a flowing message : 'for the available memory or the file is corrupt:  stopping here'. Is that because of the size of the DCD file?

[mads...@gmail.com]

Hi,

Yes, your DCD is too big.  You can separate the DCD into smaller manageable DCD files and try to re-run.  There isn’t a strict DCD size limitation as it is a function of the number of atoms, the number of frames, the number of golden vectors, and the number of q-points.

Cheers,

Joseph