add custom easyblock for FFTW (REVIEW) #1083

boegel · 2017-01-06T19:47:24Z

This easyblock takes care of building FFTW with use of AVX* instructions enabled when suitable, i.e. when the host on which it is being built supports these instructions.

(note: requires easybuilders/easybuild-framework#2074)

Using this easyblock for building FFTW results in the same multi-cycle build as is currently done in the FFTW easyconfigs (by specifying configopts as a list):

$ eb FFTW.eb -x | grep configure_step -A 1
[configure_step method]
  running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-single --enable-mpi --with-pic --enable-openmp --enable-threads --enable-avx --enable-avx2 --enable-sse2"
--
[configure_step method]
  running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-mpi --with-pic --enable-openmp --enable-threads --enable-avx --enable-avx2 --enable-sse2"
--
[configure_step method]
  running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-long-double --enable-mpi --with-pic --enable-openmp --enable-threads"
--
[configure_step method]
  running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-quad-precision --with-pic --enable-openmp --enable-threads"

The use of advanced SIMD instructions (SSE2, AVX*), building of the libraries for different precisions and for MPI/OpenMP/threads can be controlled via custom easyconfig parameters supported by this easyblock, see below.

$ eb -e EB_FFTW -a

...

EASYBLOCK-SPECIFIC
------------------
...
use_avx*                 Configure with --enable-avx (if None, auto-detect support for AVX) [default: None]
use_avx2*                Configure with --enable-avx2 (if None, auto-detect support for AVX2) [default: None]
use_avx512*              Configure with --enable-avx512 (if None, auto-detect support for AVX512) [default: None]
use_sse2*                Configure with --enable-sse2 (if None, auto-detect support for SSE2) [default: None]
with_double_prec*        Enable building of double precision library [default: True]
with_long_double_prec*   Enable building of long-double precision library [default: True]
with_mpi*                Enable building of FFTW MPI library [default: True]
with_openmp*             Enable building of FFTW OpenMP library [default: True]
with_quad_prec*          Enable building of quad precision library [default: True]
with_single_prec*        Enable building of single precision library [default: True]
with_threads*            Enable building of FFTW threads library [default: True]

...

Example easyconfig to use along with this easyblock (eb FFTW.eb --include-easyblocks fftw.py):

name = 'FFTW'
version = '3.3.5'

homepage = 'http://www.fftw.org'
description = """FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
 in one or more dimensions, of arbitrary input size, and of both real and complex data."""

toolchain = {'name': 'gompi', 'version': '2016b'}
toolchainopts = {'pic': True}

sources = [SOURCELOWER_TAR_GZ]
source_urls = [homepage]

moduleclass = 'numlib'

TODO:

take into account --optarch (in particular --optarch=GENERIC)
extend to also auto-detecting for ARM (neon, asimd) and POWER (altivec) (thoughts on this @geimer, @JackPerdue?)

cc: @akesandgren, @jhein32, @wpoely86, @rjeschmi, @verdurin

…uild-easyblocks#1083)

JackPerdue · 2017-01-06T22:28:16Z

Cool... can you add an option for altivec on the Power7/X? There is an example here: http://www.siliconslick.com/easybuild/easyconfigs/curie/curie/FFTW/FFTW-3.3.4-gompi-2016b.eb jack (who has AVX, AVX2 and Altivec to support at the moment)

…

On 01/06/2017 01:47 PM, Kenneth Hoste wrote: This easyblock takes care of building FFTW with use of AVX* instructions enabled when suitable, i.e. when the host on which it is being built supports these instructions. (note: requires easybuilders/easybuild-framework#2074 <https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_hpcugent_easybuild-2Dframework_pull_2074&d=CwMCaQ&c=ODFT-G5SujMiGrKuoJJjVg&r=yuyoBkmTkIQPbv1BTF9U27ww5Lm7GhsMmWcQG9gmjbA&m=77mQW5Orr9HHZN-l41q-_UY4e8pWdxK30Kn5oE4j0g8&s=Eg4pJOhiCE-COaBKijXGbF1Sue3du2sFSLUtQOEXovw&e=>) Using this easyblock for building FFTW results in the same multi-cycle build as is currently done in the FFTW easyconfigs (by specifying |configopts| as a list): |$ eb FFTW.eb -x | grep configure_step -A 1 [configure_step method] running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-single --enable-mpi --with-pic --enable-openmp --enable-threads --enable-avx --enable-avx2 --enable-sse2" -- [configure_step method] running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-mpi --with-pic --enable-openmp --enable-threads --enable-avx --enable-avx2 --enable-sse2" -- [configure_step method] running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-long-double --enable-mpi --with-pic --enable-openmp --enable-threads" -- [configure_step method] running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-quad-precision --with-pic --enable-openmp --enable-threads" | The use of advanced SIMD instructions (SSE2, AVX*), building of the libraries for different precisions and for MPI/OpenMP/threads can be controlled via custom easyconfig parameters supported by this easyblock, see below. |$ eb -e EB_FFTW -a ... EASYBLOCK-SPECIFIC ------------------ ... use_avx* Configure with --enable-avx (if None, auto-detect support for AVX) [default: None] use_avx2* Configure with --enable-avx2 (if None, auto-detect support for AVX2) [default: None] use_avx512* Configure with --enable-avx512 (if None, auto-detect support for AVX512) [default: None] use_sse2* Configure with --enable-sse2 (if None, auto-detect support for SSE2) [default: None] with_double_prec* Enable building of double precision library [default: True] with_long_double_prec* Enable building of long-double precision library [default: True] with_mpi* Enable building of FFTW MPI library [default: True] with_openmp* Enable building of FFTW OpenMP library [default: True] with_quad_prec* Enable building of quad precision library [default: True] with_single_prec* Enable building of single precision library [default: True] with_threads* Enable building of FFTW threads library [default: True] ... | Example easyconfig to use along with this easyblock (|eb FFTW.eb --include-easyblocks fftw.py|): name= 'FFTW' version= '3.3.5' homepage= 'http://www.fftw.org' description= """FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data.""" toolchain= {'name':'gompi','version':'2016b'} toolchainopts= {'pic':True} sources= [SOURCELOWER_TAR_GZ] source_urls= [homepage] moduleclass= 'numlib' TODO: * take into account |--optarch| (in particular |--optarch=GENERIC|) * extend to also auto-detecting for ARM (|neon|, |asimd|) and POWER (|altivec|) (thoughts on this @geimer <https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_geimer&d=CwMCaQ&c=ODFT-G5SujMiGrKuoJJjVg&r=yuyoBkmTkIQPbv1BTF9U27ww5Lm7GhsMmWcQG9gmjbA&m=77mQW5Orr9HHZN-l41q-_UY4e8pWdxK30Kn5oE4j0g8&s=HftVqLOeGDdTY3Ng-uRRuEvV5P9mopuFtU1nY7dz4jc&e=>, @JackPerdue 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<https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_hpcugent_easybuild-2Deasyblocks_pull_1083&d=CwMCaQ&c=ODFT-G5SujMiGrKuoJJjVg&r=yuyoBkmTkIQPbv1BTF9U27ww5Lm7GhsMmWcQG9gmjbA&m=77mQW5Orr9HHZN-l41q-_UY4e8pWdxK30Kn5oE4j0g8&s=8Zu_NMtDbnNjAI6sIb3SlwpTJsvN80geTbFqV83-jP4&e=> Commit Summary * add custom easyblock for FFTW File Changes * *A* easybuild/easyblocks/f/fftw.py <https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_hpcugent_easybuild-2Deasyblocks_pull_1083_files-23diff-2D0&d=CwMCaQ&c=ODFT-G5SujMiGrKuoJJjVg&r=yuyoBkmTkIQPbv1BTF9U27ww5Lm7GhsMmWcQG9gmjbA&m=77mQW5Orr9HHZN-l41q-_UY4e8pWdxK30Kn5oE4j0g8&s=2kBiEwBLE52actEWtc1EzsHGOQIx9Nm7pctLDbYNFPo&e=> (175) Patch Links: * https://github.com/hpcugent/easybuild-easyblocks/pull/1083.patch 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@JackPerdue

…uested by @JackPerdue

boegel · 2017-01-07T09:17:47Z

@JackPerdue done!

We should also do this for AARCH64, but I'm tempted to postpone that to a future PR... Thoughts @geimer?

boegel · 2017-01-07T09:24:56Z

Last commit (cd2781d) also takes into account --optarch=GENERIC, resulting in the --enable-avx* configure options not being used when it is used, see below.

Thoughts on this @pescobar?

$ eb FFTW.eb -x | grep configure_step -A 1
[configure_step method]
  running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-single --enable-mpi --with-pic --enable-openmp --enable-threads --enable-avx --enable-avx2 --enable-sse2"
--
[configure_step method]
  running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-mpi --with-pic --enable-openmp --enable-threads --enable-avx --enable-avx2 --enable-sse2"
--
[configure_step method]
  running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-long-double --enable-mpi --with-pic --enable-openmp --enable-threads"
--
[configure_step method]
  running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-quad-precision --with-pic --enable-openmp --enable-threads"

$ eb FFTW.eb -x --optarch=GENERIC | grep configure_step -A 1
[configure_step method]
  running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-single --enable-mpi --with-pic --enable-openmp --enable-threads"
--
[configure_step method]
  running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-mpi --with-pic --enable-openmp --enable-threads"
--
[configure_step method]
  running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-long-double --enable-mpi --with-pic --enable-openmp --enable-threads"
--
[configure_step method]
  running command " ./configure --prefix=/Users/kehoste/.local/easybuild/software/FFTW/3.3.5-gompi-2017a --enable-quad-precision --with-pic --enable-openmp --enable-threads"

geimer · 2017-01-07T09:26:04Z

@boegel I believe enabling NEON on AArch64 is now fairly trivial. The question is more whether the resulting library works. I'm up for giving this new easyblock a try on my ARM box, though I have no clue how to test FFTW...

boegel · 2017-01-07T09:33:14Z

@geimer it seems like FFTW has a test suite included, you should be able to run it by including runtest = 'check' in your FFTW easyconfig file...

Are you up for looking into updating this easyblock to also cover AARCH64, or shall I?

I think it's just checking for the neon (only for single precision unless it's AARCH64 then also for double precision) and asimd (single/double only)?

geimer · 2017-01-07T09:38:58Z

@boegel neon should only show up on AArch32. As far as I know, the AArch64 architecture always includes a double-precision-capable NEON unit which is flagged as asimd (Advanced SIMD). So, yes, two additional if's should suffice.

…e auto-detection of CPU features

geimer · 2017-01-07T10:09:12Z

easybuild/easyblocks/f/fftw.py

+                        prec_configopts.append('--enable-%s' % flag)
+
+                # NEON (ARM) only for single precision and double precision (on AARCH64)
+                if (prec == 'single' and self.neon) or (prec == 'double' and self.asimd):


I'm not sure this if condition is correct. I believe one can pass --enable-neon for both single- and double-precision if asimd is flagged.

Doesn't asimd imply neon?

I can update this to use prec == 'single' and (self.asimd or self.neon), but it wouldn't make a difference in practice?

The thing is: the neon flag is only available on AArch32 if NEON support is available. And it is single-precision only. On AArch64, there is no neon flag, but only the asimd flag indicating single- and double-precision NEON support. So yes, I believe it would make a difference.

OK, thanks for the clarification, fixed in c7899c2

geimer · 2017-01-07T10:46:16Z

@JackPerdue You may actually also be interested in VSX support, which seems to be available in POWER7 and above. However, as far as I can see there is no flag in /proc/cpuinfo that indicates availability. But maybe there is some other pseudo-file (e.g., under /sys)?

JackPerdue · 2017-01-07T11:33:53Z

processor : 0
cpu : POWER7 (architected), altivec supported
clock : 4228.000000MHz
revision : 2.1 (pvr 004a 0201)

Given: https://en.wikipedia.org/wiki/IBM_POWER_microprocessors I'd say grepping /proc/cpuinfo for POWER7 would do.

Thanks for the suggestion. I'll have to look at that here at some point (we are about to reprovision our Power7 cluster)

wpoely86 · 2017-01-07T12:57:01Z

easybuild/easyblocks/f/fftw.py

+# along with EasyBuild.  If not, see <http://www.gnu.org/licenses/>.
+##
+"""
+EasyBuild support for building and installing FFTW, implemented as an easyblock


fixed, thanks

boegel · 2017-01-07T14:04:11Z

@JackPerdue VSC support detection implemented in easybuilders/easybuild-framework#2078, I'll update this easyblock accordingly once that is merged

boegel · 2017-01-07T15:47:01Z

My tests with this easyblock on latest develop of EasyBuild framework (on Intel Haswell, Sandy Bridge and AMD Opteron Magny Cours) all works out fine: FFTW built with this easyblock and running the provided test suite via make check works as expected.

geimer · 2017-01-08T10:06:53Z

easybuild/easyblocks/f/fftw.py

+
+        # auto-detect CPU features that can be used and are not enabled/disabled explicitly,
+        # but only if --optarch=GENERIC is not being used
+        if self.cfg['auto_detect_cpu_features'] and build_option('optarch') != OPTARCH_GENERIC:


All x86_64 CPUs support at least SSE2, so this could be enabled even with OPTARCH_GENERIC.

Hmm, ok, that complicates things a little bit, but I'll look into it.

implemented in cb14353, please rereview?

… FFTW easyblock

boegel · 2017-01-10T11:24:03Z

Thanks for the review/feedback @wpoely86, @geimer and @JackPerdue!

ocaisa · 2017-10-17T09:30:01Z

easybuild/easyblocks/f/fftw.py

+                                prec_configopts.append('--enable-%s' % flag)
+
+                # Altivec (POWER) and SSE only for single precision
+                for flag in ['altivec', 'sse']:


altivec does not work for GCC 5 for single precision with Power, see FFTW/fftw3#59 (I also tested GCC6 and the tests fail there as well)

add custom easyblock for FFTW

6ae5821

boegel added this to the 3.1.0 milestone Jan 6, 2017

boegel mentioned this pull request Jan 6, 2017

{tools}[foss/2017a] HPL v2.2 (REVIEW) easybuilders/easybuild-easyconfigs#3968

Merged

boegel added a commit to boegel/easybuild-easyconfigs that referenced this pull request Jan 6, 2017

update FFTW easyconfig to use FFTW easyblock (cfr. easybuilders/easyb…

c0b3371

…uild-easyblocks#1083)

boegel added 2 commits January 7, 2017 10:09

also consider Altivec CPU feature for POWER in FFTW easyblock, as req…

a238fdc

…uested by @JackPerdue

fix typo

0e874e4

take into account --optarch=GENERIC

cd2781d

also take SSE, NEON (ARM) and FMA into account, add support to disabl…

8be263e

…e auto-detection of CPU features

geimer reviewed Jan 7, 2017

View reviewed changes

boegel added 2 commits January 7, 2017 11:13

FMA should only be enabled for single/double precision

cb994fa

also enable NEON based on asimd CPU feature

c7899c2

boegel changed the title ~~add custom easyblock for FFTW (WIP)~~ add custom easyblock for FFTW (REVIEW) Jan 7, 2017

wpoely86 approved these changes Jan 7, 2017

View reviewed changes

boegel mentioned this pull request Jan 7, 2017

also detect VSX support for POWER easybuilders/easybuild-framework#2078

Merged

also consider VSX (POWER), add author in module docstring

21b8e0f

geimer reviewed Jan 8, 2017

View reviewed changes

boegel added 2 commits January 8, 2017 17:41

consider SSE/SSE2 on x86_64 and NEON on AARCH64 for auto-detection in…

cb14353

… FFTW easyblock

fix checking for available CPU features

34154c7

geimer approved these changes Jan 8, 2017

View reviewed changes

boegel merged commit 386a92c into easybuilders:develop Jan 10, 2017

boegel deleted the FFTW branch January 10, 2017 11:24

boegel mentioned this pull request Jan 10, 2017

update FFTW 3.3.5 easyconfigs to use FFTW easyblock & enable running of tests easybuilders/easybuild-easyconfigs#3985

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boegel mentioned this pull request Feb 10, 2017

EasyBuild v3.1.0 (roadmap) easybuilders/easybuild#268

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add custom easyblock for FFTW (REVIEW) #1083

add custom easyblock for FFTW (REVIEW) #1083

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add custom easyblock for FFTW (REVIEW) #1083

add custom easyblock for FFTW (REVIEW) #1083

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boegel commented Jan 7, 2017

boegel commented Jan 7, 2017

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boegel commented Jan 10, 2017

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boegel commented Jan 6, 2017 •

edited