Viewing profile — quadruplebond

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 som…

They got back to me after about 5.5 weeks (it was a no, but nicely worded). I think they are just really busy.

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 …

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 …

send me an email at @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 goo…

Happy to answer specific questions if you have them.

It is going to depend on your org and some other stuff. How much do you want to work on the high side etc.

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.

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 reme…

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.

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 r…

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.

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 jus…

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…

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…

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…

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 som…

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…

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 ar…

Because you need to modify or extend it in some nontrivial way.

Yeah small and skinny matrix multiplies are an active area of research.

Sure but that will likely be much much slower.

Eigen isn’t good enough? You can offload some stuff to MKL with it also.

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…

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 ge…