quadruplebond

10 ms·

1.
by quadruplebond 4y ago
What do you mean bare metal? Because all of the big DOE computers are running Linux. Users will probably use hardware specific libraries (like CUDA/ROCm) and occasionally write some hardware specific asm, but none of the big computers
2.
by quadruplebond 5y ago
They got back to me after about 5.5 weeks (it was a no, but nicely worded). I think they are just really busy.
3.
by quadruplebond 5y ago
If dod research labs are like NNSA research labs part of why 0.4 FTEs can be considered significant investment is because overheads are quite high. My experience is that for every dollar a FTE makes their project is paying an additional 2-3
4.
by quadruplebond 5y ago
Not all positions require a clearance, but most citizens eventually get one. Life as a foreign national can be difficult if you are at SNL. And if you are from a sensitive country it is even more difficult.
5.
by quadruplebond 5y ago
send me an email at <my-user-name>@gmail.com if you want to chat more, I am in a software role, focused on future architectures and HPC, WLB is good in our department. Job security is really good IFF you are an FTE, if you are a postd
6.
by quadruplebond 5y ago
Happy to answer specific questions if you have them.
7.
by quadruplebond 5y ago
It is going to depend on your org and some other stuff. How much do you want to work on the high side etc.
8.
by quadruplebond 8y ago
Nvidia was probably under contract for this before mining blew up to where it is today. Provisioning for these machines starts 5-10 years before they ever come online.
9.
by quadruplebond 8y ago
Partly because we don’t want to be locked into using Intel for both of DOE’s open science machines. In the lead up to the exascale or near exascale machines (2012-now) I don’t remember hearing much about AMD, so presumably Intel and IBM we
10.
by quadruplebond 8y ago
Yes, but rumor has it that Intel will still be the supplier for Argonne’s next computer. Which if everything goes to plan will be the first exascale machine.
11.
by quadruplebond 8y ago
Sort of, but Blue Gene tech was always an Argonne thing, Oak Ridge has been the one doing GPUs for awhile now. Unless something weird happens Argonne and Oak Ridge will always be running different types of computer since we don’t want to b
12.
by quadruplebond 8y ago
Most machines will allow for back filling if your jobs are short enough and small enough. But that will still leave some of the machine under utilized.
13.
by quadruplebond 8y ago
Unfortunately you would be disappointed. top is only going to display what's running on your current node, not the whole machine. There is probably some sort of global top, but just logging in and running top in your shell will only r
14.
by quadruplebond 8y ago
Think of it as a much higher bandwidth PCIE. You still have to think about data locality, the same way you do with cpu cache levels. It just makes the problem of not having data on the gpu less painful than before.
15.
by quadruplebond 8y ago
Depends on what the computer is designed for. Imagine you want to parallelize up to about 16 nodes or 1000-2000 cores of a new xeon. And your code is not optimized for accelerators. Well you might build a large machine with hundreds of no
16.
by quadruplebond 8y ago
Probably something that looks like Red Hat. All these codes will use some form of message passing with MPI being the most common. Finally to get on node parallelism some codes will hand write cuda for their problem and others can get away
17.
by quadruplebond 8y ago
Pretty sure that Phi as you know it is largely being left. Argonne's Aurora exascale machine was suppose to be Xeon Phi, but it has been postponed till 2021 and will likely use some other tech. Also look at the top 500 list from late
18.
by quadruplebond 9y ago
This looks like it might be nice, but regular coupled cluster doesn't really have very many sparse matrices so mapping things into Blas3 is fine. Also if you go the reduced scaling route and use PNOs or OSVs everything is mapped into m
19.
by quadruplebond 9y ago
Things like this exist but there are two issues. They aren’t part of the standard and Fortran compilers are better at optimizing built in Fortran abstractions than c++ compilers are at optimizing user made abstractions. I suspect it’s the l
20.
by quadruplebond 9y ago
Because you need to modify or extend it in some nontrivial way.
21.
by quadruplebond 9y ago
Yeah small and skinny matrix multiplies are an active area of research.
22.
by quadruplebond 9y ago
Sure but that will likely be much much slower.
23.
by quadruplebond 9y ago
Eigen isn’t good enough? You can offload some stuff to MKL with it also.
24.
by quadruplebond 9y ago
It’s partly the power of library authoring that is moving things I think. To my knowlegdge most post lapack tensor algebra is all C/C++ also. I don’t know Fortran but I am not sure if it has the same flexibility when it comes to generi
25.
by quadruplebond 9y ago
There is a lot of electronic structure in c and c++. For SMP there is psi4 and Orca also Garnet Chan has a new python C++ package. Then some widely used integral code generators generate c or c++ (libcints, Libint2) On the parallel front MP
26.
by quadruplebond 9y ago
I don’t use Fortran but I agree as of today and probably post 90 Fortran is nice enough but people moved to c++ for things like polymorphism and templates and pointers among other things. You could probably also rewrite nwchemex in Modern F
27.
by quadruplebond 9y ago
I agree, it is very project/field dependent. There are times when a painful redesign might pay off in the future, but I am sure there are also times when it is a waste of effort. In your case a redesign might have been a waste, you ar
28.
by quadruplebond 9y ago
Not necessarily. It was definitely bad if they want to become academics and needed to publish papers. But if they knew from the start what they were getting into and wanted to transition from physics to software development then it might n
29.
by quadruplebond 9y ago
Potentially your "rival groups" will have a long term advantage now though. This might be bad for the graduate students that did the work, but could be good for the professor and group over the next decade. Graduate students need
30.
by quadruplebond 9y ago
Just a grad student, soon to be postdoc, so not a big wig on ECP.

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