In looking to try out a build of Rosetta so that a researcher in another
department can try it out on a large memory resource we have here, I
noticed, because I ended up looking at this file, that there's a stanza
in
tools/build/basic.settings
that appears to allow for compilation against a CUDA toolkit.
As I am not a Rosetta user but an implementer, I was wondering if there's
a simple test/demo that I could try out, if I build such a variant, which
would be an Ubuntu 10.10 (GCC 445) with NVIDIA_GPU_Computing_SDK-4.0.
Just to say that I grabbed the full 3.4 bundle but there doesn't appear to
be a demo with anything akin to CUDA in the demo directory names, nor has
a search within the forums for "CUDA" turned up anything useful either.
On a second resource I look after, I have access to the PGI compiler suite
and was wondering if anyone has tried to compile Rosetta using that?
Presumably it is "just a matter of adding a stanza for pgiCC and choosing
the optimisation flags", for some value of "optimisation flags"?
Any pointers welcome,
Kevin M. Buckley
ECS, VUW, NZ.
We don't have much, or maybe any, public GPU compatibility. There are a few algorithms ported to GPU (Luki ported sc, which is a shape complementarity algorithm; I don't know if that's in 3.4) but 99% of Rosetta is still CPU-only. So, yes, you can compile in GPU support, but it only has any effect in one very narrow case. Further GPU work is under development.
I am not aware of anybody working with PGI compilers (it would be in tools/build). Your interpretation of what is necessary is correct. I believe I have access to PGI compilers so if you create a solution I can minimally test it and put it in the codebase. GCC is eternally popular for production work, with some use of ICC. A lot of us use clang for development but not production (which may indicate lack of clang on the supercomputers, not a deficiency of clang).
> We don't have much, or maybe any, public GPU compatibility.
OK. Just thought to ask
> ... not aware of anybody working with PGI compilers ... if you create a solution
> I can minimally test it and put it in the codebase.
OK. We'll see where we can take it
Kevin M. Buckley
ECS, VUW, NZ.