What scientists must know about hardware to write fast code (2020)(viralinstruction.com) |
What scientists must know about hardware to write fast code (2020)(viralinstruction.com) |
The PI started asking me to run some analyses on a raw dataset. Since I was so new at it, I often messed up and had to rerun the whole thing after looking at the output; this was painful because the entire script took a few hours to run.
I started poking around to see whether it could be optimized at all. the raw data was divided up into hundreds files from different runs, sensors, etc..., that were each processed independently in sequence, and the results were all combined together into a big array for the final result. Seems reasonable enough.
Except this code was all written by scientists, and the combination was done in the "naive" way - after each of data files was processed, a new array was created and the previous results were copied into the new array, as were the results from the current data file. This meant that for the iterations at the end, we roughly needed to have Memory = 2 * Size of final data, which eventually exceeded the amount of physical memory on the machine (and because there were so many data files, it was doing this allocation and copying dozens of times after it used all the RAM).
I updated this to pre-allocate the required size at the beginning for a very very easy 3-4 fold improvement in the overall runtime and felt rather proud of myself.
To his credit once I (as nicely as possible) showed him how to do it with two nested for-loops he clearly felt stupid and conceded the point. He was otherwise a very smart guy and good to work with, but goes to show how we can take our training for granted. Even freshman-level stuff goes over the heads of PhDs, and I'm sure the same would be true if I were to drop into a biochem lab.
Without even looking at the processing function, which I considered some sciency science, I set up pthreads and mutexes on the result array and such to reap almost perfectly linear scaling. So far, so good.
Then I ran a profiler to see what was actually taking so long.
... Uh, why are you spending all this time copying strings back and forth?
Turns out they passed all strings by value. Sprinkling in a few const & here and there got a 1000-fold speedup or such. I felt pretty stupid for my multithreading antics after that.
Also, H5 data formats[0] have been a god-send for scientific computing, due to its ability to inherently make sense of how to store your data. You can have your previous results curried over into your new analysis without doubling your data.
I believe what was roughly happening under the hood was: 1. Allocate an array `tmp` of size `length of allOrbitFiles` + `length of currentOrbitFiles`. 2. Copy data from `allOrbitFiles` over to `tmp`. 3. Copy data from `currentOrbitFiles` to `tmp` 4. Reassign `allOrbitFiles` to the new array `tmp`. 5. Garbage collect the old `allOrbitFiles`.
So the doubling of memory usage comes after Step 1. I would imagine (but don't know for sure) that this would actually occur in any garbage collected language I'm familiar with as well (Java, Python, Javascript).
What scientists must know about hardware to write fast code (2020) - https://news.ycombinator.com/item?id=29601342 - Dec 2021 (29 comments)
For those folks, getting the output they need is much more important than the CPU cycles - as it should be.
As a C++ programmer, I posed the question as to why they don’t hire coders to do this for them. The answer was cost which rather surprised me given the cost of the LHC.
But for large problems the article falls short. Scientific applications may need to use several computers at a time, COMP Superscalar (COMPSs) is a task-based programming model which aims to ease the development of applications for distributed infrastructures. COMPSs programmers do not need to deal with the typical duties of parallelization and distribution, such as thread creation and synchronization, data distribution, messaging or fault tolerance. Instead, the model is based on sequential programming, which makes it appealing to users that either lack parallel programming expertise or are looking for better programmability. Other popular frameworks such as LEGION offer a lower-level interface.
A minor detail I find a bit confusing, though, is explaining the potential benefits of SMT/hyperthreading with an example where threads are spending some of their time idle (or sleeping).
I don't know Julia so I don't know if sleep is implemented with busy-waiting or something there, but generally if a thread is put to sleep, the thread gets blocked from being run until the timer expires or the sleep is interrupted. The operating system doesn't schedule the blocked thread for running on the CPU in the first place, so a thread that's sleeping is not sharing a CPU core with another thread that's being executed.
So the example does not finish 8 jobs almost as fast as 4 or 1 jobs using 4 cores due to SMT; it's rather that half of the time each of the threads is not even being scheduled for running. A total of eight concurrent jobs/threads works out to approximately four of them being eligible to run at a time, matching the four physical cores available.
If there are only four concurrent jobs/threads, each sleeping half of the time, you end up not utilizing the four cores fully because on average two of the cores will be idle with no thread scheduled.
AFAIK SMT should only really be beneficial in cases of stalls due to CPU internal reasons such as cache misses or branch mispredictions, not in cases of threads being blocked for I/O (or sleeping).
The post is of course correct in that the example computation benefits from a higher number of concurrent jobs because of each thread being blocked half of the time. However, that's unrelated to SMT.
Considering how meticulous and detailed the post generally is, I think it would make sense to more clearly separate SMT from the benefits of multithreading in case of partially I/O-bound work.
Thanks for the heads up!
This link is not meant for you. It is meant for a scientist, and most scientists do not also have an EE degree or CS degree.
How much graduate level biology, oceanography, physics, geology, chemistry, meteorology, or other scientific field do you know?
All of those have subfields where computational performance is important. My experience is scientists are more likely to pick up the software skills than EEs are willing to pick up the science background. (In part because scientific software development generally pays less well than commercial software development.)
If you had prepended the comment with something like "I love this topic!" to show enthusiasm or approval, you probably would have gotten a much different response.
A good example: there was recently a thread on the Julia discourse comparing Julia and Mojo. Julia used no external libraries (compared to 7 with Mojo) implemented a simpler, faster, and cleaner version of the Mojo code that was used to showcase how fast Mojo was: https://discourse.julialang.org/t/julia-mojo-mandelbrot-benc.... Then further still, folks were able to optimize for even more speed with various abstractions that let Julia take more advantage of the hardware.
That's the promise I think Julia makes and delivers on - you can write incredibly "fast" code simply and cleanly. Yes, you can have a higher standard of "fast" which requires a bit more advanced knowledge but I'd argue that Julia still offers the cleanest/simplest way to take advantage of those micro-optimizaitons.
Performance is on a spectrum, and usually a tradeoff against readability and conciseness. I think it IS true that Julia excels in that it gives, by far, the best expressibility/performance tradeoff.
Also, often, you really can get "free lunch" - there are many times where if you just do the obvious thing, Julia and its backend LLVM can optimise it to extremely efficient code. For a simple example, just summing an array with a for loop, for example.
This is quite a different situation to traditional scientific computing.
I remember a quote that was like “Lisp programmers know the value of everything and the cost of nothing” in reference to that.
The site is a staticly published version of a Pluto notebook, which uses modern web features to enable interactivity, reactivity, code syntax highlighting, etc. etc. Tradeoffs to enable those features but requires enabling your browser features. The underlying file that the notebook is based on is just a basic `.jl` file, so you could happily run the notebook from a Julia instance instead of the browser-based notebook environment.
Julia itself will be happy to run however you'd like it to of course.
We also have meetings dedicated to performance, some of which are not public, but this series from ROOT is: https://indico.cern.ch/category/14122/ If you search above, you will see many discussions about performance. The CI for ROOT also has a set of benchmarks to catch regressions, and Geant4 has two systems to track performance, a CI job checking every merge request, which I've set up myself (not publicly accessible), and a more complex system to track performance run by FNAL: https://g4cpt.fnal.gov/
These are just some examples from the projects I've worked on. There are also efforts to port stuff to GPUs and HPCs, and many other projects like event generators that are also undergoing performance work for HL-LHC. If you Google you can probably find a lot more stuff than what I already mentioned. Cheers,
We moved the website to https://biojulia.dev/, with permissions given to more people, including a core dev of Julia. That should reduce the risk of this happening again.
I thought I was visiting a website.
The formula can be "oblivious" to the final size of the matrix too, which is helpful if you're doing some sparse ML training on edges (e.g., GNNs).
The HN description actually referred to nicely layered technical abstractions. Which is why I had clicked the link. The description of Julia as being Lisp like. Thank you for taking an interest. I sill go see if a newer safaru works.
Obviously the developers of Lisp Machine operating systems could not ignore the cost of the operations. Especially since they developed ambitious software (an operating system and its application) on relatively slow machines (a Symbolics 3600 was as fast as a 1 MIPS DEC VAX 11/780).
GC was a kernel service, and there were low level primitives, including Assembly level Lisp forms.
Parenthesis all the way down to microcode.
That's a big hand wavy thing right there: "spending more time" is not a binary, and "just like any other language" ignores the massive differences there are in how much time you have to spend, what resources are available to you from the language, and how easy the ecosystem makes it.
No because of JIT compilation he would write code faster than Python by default. Now to truly rival optimized C++ code one has to do the tricks mentioned in this post like optimizing memory access, SIMD and maximizing instruction parallelism.
The key point is you are better off by default and can do some ugly stuff in the critical parts of the code while still using the same language.
But yeah if you're writing a loop or something else where the majority of work is actually being done by python itself, then it's going to typically be much much slower than the equivalent julia code.
This is not possible by definition, or is a misunderstanding of where and how performance occurs. If this is possible, then it is just as easy to perform worse if the beginner steps to either side of the happy path or if their problem doesn't fit the preconceived optimizations and is therefore no longer a "language" but some kind of "library". I think Julia should be seen as a library and not a language because a language is not comparable in this way that Julia likes to handwave away as magic.
That's not obfuscation, its faster code development, easier to read code, simpler maintainability.
Everything at a higher level than stack, manual heap, processor instruction, registers, explicit addressing and modes, direct I/O, and networking primitives level.
To have all that help, but still be able to drop down to the lowest level, in one consistent toolset is really nice for development and reliable sharing.
(Only a Julia fan at a distance! Not had the pleasure.)
The standard entomologist curriculum does not require calculus, while a physics curriculum does. Both produce scientists. (For example, https://cals.cornell.edu/education/degrees-programs/entomolo... under "Major Requirements" says "One semester of college statistics or biometry", and the listed physics requirement doesn't require calculus.)
On the other hand, an entomologist interested in population ecology may need to know differential equations.
Your use of "study program" suggests your experience is at the undergrad level, and not at the grad school level, which is how most scientists I know got their training.
At the undergrad level the study programs do reflect what's needed for a solid education. If a student is interested in computational biology, that program will emphasize taking more CS courses than the program for a student interested in marine biology.
But at the grad level, the "study program" is much less formalized. You might take graduate level classes the first couple of years, but then you are expected to pick up the missing bits on your own.
Once you have your PhD and are a working scientist, you rarely have the luxury of following any study program.
And if you've been a scientist for 20 years, any CS training you had likely did not cover SIMD, and emphasized practices which are no longer relevant. (For example, the link points out "That advice [about HDDs] is mostly outdated today [with SSDs]".)
Those latter categories are who the linked-to piece is for, not undergrads in a well-defined study program.
I would be curious to know of all the "scientific coders" what percentage of them understood the entire article. I'd be similarly curious how much your typical "bootcamp" developers would understand of it. I know everything presented, so it basically comes off as a "lecture notes" for someone that already knows it. Someone that doesn't understand SIMD, CPU fundamentals, assembly, and compilers, I'd imagine their eyes would glaze right when the assembly code appeared.
And while SSDs are MUCH FASTER than HDDs, the basics of interacting with storage is the same, just that rather than waiting a million years for data to arrive from the CPU's perspective, it comes in 10,000s of years.
Latency numbers all programmers should be aware of:
I can't judge background - I don't have a sense of who uses Julia, and I've been programming for too long, without exposure to the target audience.
Since you mentioned "academic setting", I'll point out there are also scientists-who-program in industrial settings. However, none of the ones I know about use Julia.
My belief is that most scientists-who-program aren't going to read text books from other fields. They are under pressure to produce NOW, and don't think it's worth the time to acquire an entirely new mindset. Instead, I think this sort of knowledge transfer is by jerks and fits, as someone figures out an optimization, and passes it along, with domain-specific context that makes it easier for others in the field to understand.
Which means, like you, I don't think this notebook will be all that useful, though in my case that's because I think it's too generic.
> what percentage of them understood the entire article
I don't think that's a telling metric. Only some scientific coders are interested in writing fast code (vs. fast-enough code), and only some of those use Julia.
Can you elaborate a bit? I don't really get what you are trying to say.
The docs here aren't trying to talk about SIMD instructions at all here. (although Julia/LLVM are pretty good at producing SIMD instructions from loops where possible).
This should also help with optimization, and a larger amount of code can be optimized together, while (C)Python can only optimize up to the Python/C boundary.
Again redefining these things here... if the language has tools for all of inline raw chip specific instructions, compiler optimized versions of those instructions, virtualized and then optimized instructions, a jit compiler, and then also high level interpreter operations, then how can it be in anyway an encompassing system and how can that be coherent among all levels without requiring someone to know all levels at which point, I'm going to say no thanks and stick to tools at their respective levels of abstraction where I can reason them to be coherent rather than a dynamically allocated string which is sometimes tied to only working on amd64 because someone wanted an assembler way of pattern matching for some reason.
Maybe within the scope of scientific computing this seems logical if you just restrict yourself to matrix multiplication or whatever, but I don't see how that makes a "language" and it can be coherent, composable, etc...
I've seen a ton of examples, however, over the years of "stunt driven" technological advantages that people thought would be interesting but turned out to be the wrong solution for the wrong problem, but none that claim to break the laws of physics and reason with their evangelism than Julia. Even this article starts with "you must understand the quirks" and I hope that isn't a goal for their design because they are also claiming that I shouldn't have to know the quirks so which is it.
Ummm, CPython is also leaky abstraction. Parts of the C implementation, like garbage collection, id(), 'a is b' checks, the ast and dis modules, and more.
It even has the beginnings of JIT support.
The leaky abstraction thesis is that all layers leak.
Julia's argument is that if you have all of these levels anyway, do it in one language instead of two. If you don't like leaky abstractions, you should prefer a system with one less layer of abstraction.
You also reject Rust, yes? It has many of the same abilities.
And JITed Lisp implementations with user access to the JITted code?
> then how can it be in anyway an encompassing system and how can that be coherent among all levels without requiring someone to know all levels at which point
That sounds like an argument from incredulity.
Just because you don't see how something can be true, that doesn't mean it isn't true.
> which is sometimes tied to only working on amd64 because someone wanted an assembler way of pattern matching for some reason
I believe all of the big C compiler vendors support ways to embed assembly. I use it in my code, for better support for x86-64, and a fallback for other platforms.
I also used Turbo Pascal's inline assembly in the early 1990s.
> but none that claim to break the laws of physics and reason with their evangelism than Julia
I guess you're too young to remember Lisp evangelists.
You seem to be reacting to something beyond what is in the linked-to essay. What breaks the laws of physics? Again, appealing to gut instinct isn't that good of an argument.
This is also a non-answer and I don't mean to be flippant but if you have any further justification I'd love to read it. It is the core of the argument you're handwaving away.
Not surprisingly, Julia draws on Lisp's macro abilities to achieve similar goals. Julia is also influenced by Dylan, another ALGOL-like Lisp variant.
If Julia does do what you say you don't believe it can, how would you learn that you were wrong?