On Tue, Jul 10, 2012 at 2:46 PM, Phil Jeffrey
This is in F432 in a=b=c=340A at 2.85A resolution. Mac OSX 10.5.8, the machine has 8Gb memory of which something like 6Gb is hanging around begging to be used.
1,327,104,000 if that's in bytes doesn't seem all that excessive. On the other hand, 340*340*340= 39,419,600 so it's perhaps a little greedy.
Forgot to address this - in fact the formula for map size in bytes is something vaguely like this (I am totally guessing here): map_size = 8 * a * b * c / (d_min/resolution_factor)^3 resolution_factor is 0.25 in this context. The multiplier of 8 is because we're using double-precision floating point numbers, which are 64 bits each. This comes out to 868,250,664 bytes for your structure, but I'm probably missing some essential details, and I think the grid size will be adjusted to behave well in the FFT. It's hard to guess exactly why this crashes in your case; it doesn't seem like something that should run out of memory, but this particular routine may be a bit of a bottleneck. -Nat