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1:30:07
drmeister
I took a look at the llvm-ir for arithmetic that Cando generates to optimize molecular geometries using Mathematica.
1:33:10
drmeister
https://github.com/drmeister/cando/blob/dev/include/cando/energy-functions/_NONBOND_POSITIONS_termCode.cc#L1
1:34:00
drmeister
https://github.com/drmeister/cando/blob/master/include/cando/energy-functions/_NONBONDRB_termCode.cc
1:35:07
drmeister
Yeah - I have been meaning for a long time to see what llvm did with it. Whether the temporary variables were put in alloca's or something - but they aren't.
1:36:47
drmeister
I have been thinking about taking this Mathematica program and have it generate S-expressions so that we can load it into Common Lisp and then generate llvm-ir for double precision or single precision.
1:51:44
drmeister
(let ((*trace-output* *standard-output*)) (time (loop for x below 100000 do (chem:evaluate-energy *energy* *pos*))))
1:53:22
drmeister
It's consing - I'm not sure what though - this is just a loop evaluating this math code.
1:59:16
drmeister
https://github.com/drmeister/cando/blob/dev/src/chem/energyRigidBodyNonbond.cc#L161
2:05:34
drmeister
Oh my - profiling with Instruments is useful when you aren't profiling a compiler.
2:09:35
drmeister
The ones on the right? I think they are how many times the IP was on that instruction when the backtrace was taken.
2:11:41
drmeister
I'm a complete neophyte when it comes to writing optimized numerical code. I'm not sure if I'm looking at a horror show or not.
2:11:45
Bike
yeah, but i mean, if i'm reading it right there's a mulsd with 2x followed by a mulsd with 1715x.
9:20:07
frgo
Is dev broken currently? I pulled and now I get a "Symbol "GENERATE-ONE-SIF" not found in the CSCRAPE package." error during scraping ...
11:34:42
drmeister
::notify attila_lendvai There appear to be problems with the build. I'm getting an error on this line: https://github.com/clasp-developers/clasp/blob/dev/wscript#L1110
12:09:15
Colleen
attila_lendvai: drmeister said 34 minutes, 33 seconds ago: There appear to be problems with the build. I'm getting an error on this line: https://github.com/clasp-developers/clasp/blob/dev/wscript#L1110
12:09:15
Colleen
attila_lendvai: drmeister said 28 minutes, 8 seconds ago: Commit abadd7f6e broke the build.
12:30:25
drmeister
attila_lendvai: Your latest push is compiling [13 of 54 ...] of the aclasp CL code