Re: [easybuild] Re: Configuring ELPA according to the cpu
Hi, I'm planning on writing a custom easyblock for ELPA precisely to tackle this problem, so I guess I'm the person mentioned in Alan's email, although I'm still not sure I can attend the EasyBuild user meeting. My idea was precisely to use the FFTW easyblock as a starting point. Best regards, Micael On 1/11/19 3:34 PM, Kenneth Hoste wrote: Dear Jakob, I'm not sure there's much EasyBuild can do about this, unless I'm missing something. You can build using different sets of configuration options in a single installation, but I don't think that's of much use here. The best solution indeed seems to be to write an easyblock for ELPA that checks which CPU capabilities are supported, and then builds ELPA with the appropriate configure options. We have some of that already in custom easyblocks, see for example the FFTW easyblock: https://github.com/easybuilders/easybuild-easyblocks/blob/master/easybuild/easyblocks/f/fftw.py#L124 . This really is beyond what's possible in an easyconfig file, you need custom code to deal with this... regards, Kenneth On 11/01/2019 12:48, Jakob Schiøtz wrote: Dear all, I did not get any response to this before Christmas. Does anybody have any ideas that might help me? Best regards Jakob On 18 Dec 2018, at 15:00, Jakob Schiøtz wrote: Hi, I am trying to build the newest version of ELPA (Eigenvalue SoLvers for Petaflop-Applications, https://elpa.mpcdf.mpg.de/). It looks like ELPA builds a number of “kernels” that are chosen at runtime depending on the capabilities of the CPU, for example SSE, AVX, AVX2 or AVX512. Unfortunately, with the foss toolchain the compiler refuses to build these kernels if the CPU does not support them (the Intel toolchain happily builds them). This means that I have to configure ELPA with --disable-avx2 or --disable-avx if the CPU does not support these instructions, and --enable-avx512 if the CPU does support that. Is there some way to do this easily in an easyconfig? Maybe a compiler flag that allows using “AVX2 gcc intrinsics” in the code, without otherwise turning on AVX2 instructions (as that would cause the rest of the code to fail if AVX2 is not supported). Or do I have to write some complicated stuff into an easyblock? And if I do the latter, do you know how to portably detect the capabilities of the CPU? It seems somewhat silly that the ELPA configure script tests if these instructions are supported and fails if one does not manually disable the unsupported versions instead of just doing the right thing. But that is beyond my control. Best regards Jakob -- Jakob Schiøtz, professor, Ph.D. Department of Physics Technical University of Denmark DK-2800 Kongens Lyngby, Denmark http://www.fysik.dtu.dk/~schiotz/ -- Jakob Schiøtz, professor, Ph.D. Department of Physics Technical University of Denmark DK-2800 Kongens Lyngby, Denmark http://www.fysik.dtu.dk/~schiotz/
Re: [easybuild] Re: Configuring ELPA according to the cpu
Hi Jakob, I'm going to try working on this this week. I'll let you know once there is a PR. Micael On 1/12/19 8:17 AM, Jakob Schiøtz wrote: Hi Michael, That would indeed be great. Let us keep in touch, so we don’t do it both :-) Jakob On 11 Jan 2019, at 16:19, Micael Oliveira wrote: Hi, I'm planning on writing a custom easyblock for ELPA precisely to tackle this problem, so I guess I'm the person mentioned in Alan's email, although I'm still not sure I can attend the EasyBuild user meeting. My idea was precisely to use the FFTW easyblock as a starting point. Best regards, Micael On 1/11/19 3:34 PM, Kenneth Hoste wrote: Dear Jakob, I'm not sure there's much EasyBuild can do about this, unless I'm missing something. You can build using different sets of configuration options in a single installation, but I don't think that's of much use here. The best solution indeed seems to be to write an easyblock for ELPA that checks which CPU capabilities are supported, and then builds ELPA with the appropriate configure options. We have some of that already in custom easyblocks, see for example the FFTW easyblock: https://github.com/easybuilders/easybuild-easyblocks/blob/master/easybuild/easyblocks/f/fftw.py#L124 . This really is beyond what's possible in an easyconfig file, you need custom code to deal with this... regards, Kenneth On 11/01/2019 12:48, Jakob Schiøtz wrote: Dear all, I did not get any response to this before Christmas. Does anybody have any ideas that might help me? Best regards Jakob On 18 Dec 2018, at 15:00, Jakob Schiøtz wrote: Hi, I am trying to build the newest version of ELPA (Eigenvalue SoLvers for Petaflop-Applications, https://elpa.mpcdf.mpg.de/). It looks like ELPA builds a number of “kernels” that are chosen at runtime depending on the capabilities of the CPU, for example SSE, AVX, AVX2 or AVX512. Unfortunately, with the foss toolchain the compiler refuses to build these kernels if the CPU does not support them (the Intel toolchain happily builds them). This means that I have to configure ELPA with --disable-avx2 or --disable-avx if the CPU does not support these instructions, and --enable-avx512 if the CPU does support that. Is there some way to do this easily in an easyconfig? Maybe a compiler flag that allows using “AVX2 gcc intrinsics” in the code, without otherwise turning on AVX2 instructions (as that would cause the rest of the code to fail if AVX2 is not supported). Or do I have to write some complicated stuff into an easyblock? And if I do the latter, do you know how to portably detect the capabilities of the CPU? It seems somewhat silly that the ELPA configure script tests if these instructions are supported and fails if one does not manually disable the unsupported versions instead of just doing the right thing. But that is beyond my control. Best regards Jakob -- Jakob Schiøtz, professor, Ph.D. Department of Physics Technical University of Denmark DK-2800 Kongens Lyngby, Denmark http://www.fysik.dtu.dk/~schiotz/ -- Jakob Schiøtz, professor, Ph.D. Department of Physics Technical University of Denmark DK-2800 Kongens Lyngby, Denmark http://www.fysik.dtu.dk/~schiotz/ -- Jakob Schiøtz, professor, Ph.D. Department of Physics Technical University of Denmark DK-2800 Kongens Lyngby, Denmark http://www.fysik.dtu.dk/~schiotz/
Re: [easybuild] libxc-5.2.3-GCC-11.3.0.eb: Download incomplete
Hi, The issue with the Libxc downloads should now be fixed. Unfortunately it took some time to track down a weird issue with the web server. Sorry for the inconvenience. Cheers, Micael On 28/3/23 22:18, Ole Holm Nielsen wrote: External Email Hi Loris, It would be great if you could make a PR against libxc! I'm not that experienced with Git usage ;-) Thanks, Ole On 3/28/23 13:03, Loris Bennett wrote: Hi Ole, Ole Holm Nielsen writes: Hi Loris, I'm being hit by that libxc download problem too! It's very bad for the modules that we're trying to build :-( Should EB use this download URL in stead? https://gitlab.com/libxc/libxc/-/archive/5.2.3/libxc-5.2.3.tar.gz Yes, I think it probably should, since, as far as I can tell, this is probably the canonical version. Have you already got a patched EC you could use for a pull request, or shall I created one? Cheers, Loris Thanks, Ole On 3/28/23 11:41, Loris Bennett wrote: The EC libxc-5.2.3-GCC-11.3.0.eb downloads the sources from https://www.tddft.org/programs/libxc However, the site seems to be having issues such that the download gets interrupted before it is complete. There are other places to get the sources from, i.e. https://gitlab.com/libxc/libxc and https://github.com/ElectronicStructureLibrary/libxc but the checksums for the version 5.2.3 are different in these two cases and both different from the checksum in the EC (the Github version is supposed to be a mirror of the Gitlab version). What should happen here? Should I wait and hope that www.tddft.org stops being so flaky, or should the EC (or at least the next version thereof) be changed to use Gitlab as the source, since this now seems to be the place were development occurs?
