freenode/#clasp - IRC Chatlog
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13:07:42
Bike
did you get anywhere with the bignum literals thing? i think that's the only part of the neo-bignum replacement that i'm not sure how to do
21:44:35
drmeister
https://www.dropbox.com/s/zwpbuq5qewz3m62/Screen%20Recording%202020-08-10%20at%205.39.20%20PM.mov?dl=0
22:07:54
Bike
i think i have integer division working properly now, so what's left is bitwise operations and dumping
22:17:30
bjorkintosh
I should as claspy questions in clasp. so would it be possible then to create a uhh chemistry engine with an animated output to see how different chemicals react?
22:20:17
drmeister
bjorkintosh: There is a demo for visualizing a protein moving in the docker image - but it's broken at the moment but should be fixed in the next couple of days.
22:21:05
drmeister
And yes - it is possible to see the animated output of how different chemicals react.
22:23:34
drmeister
Here's one of a box of water with a protein in it. You can't see the protein well because it's blocked by all the waters.
22:32:07
drmeister
bjorkintosh: Biology happens in water - so you have to simulate water well. It turns out to be surprisingly difficult.
22:35:10
drmeister
Also, computers are really slow compared to how fast molecules move. It takes many minutes to hours to days to simulate a few nanoseconds. So we need fast machines and good algorithms.
22:36:40
drmeister
We have a range of modeling techniques, from modeling fundamental quantum mechanics (more accurate, terribly slow) to modeling molecules as balls connected by springs (less accurate and slow).
22:37:24
drmeister
Yes gpus help quite a lot. There's been a revolution in the last couple of years with the help of gpus. We can actually start to make good predictions of some molecular properties with the help of gpus.
22:39:43
drmeister
Setting up the calculations is very complicated and has to be done correctly or you get garbage.
22:40:10
drmeister
That's where we come in. I know how to write the code that sets up the calculation. That's what Cando is for.
22:42:21
drmeister
Then there are the more mundane problems like - you write something and how do you get it into their machines?
23:34:10
stassats
any self respecting gcd does that, but i guess with powers-of-two it can be simplified
23:50:38
drmeister
I found a bug in ComplexVectorCoordinates_O in cando that broke MPS. Cando is one step closer to working with MPS.
0:07:06
drmeister
I was calculating the size of ComplexVectorCoordinate_O wrong because of that stupid rank=1 thing.
0:08:28
drmeister
I should have a test mode where I allocate one of everything to make sure I'm calculating the sizes correctly.