Project

General

Profile

Task #1056

status of fft5d_threads and fftw3_threads functionality

Added by Mark Abraham over 6 years ago. Updated about 3 years ago.

Status:
Accepted
Priority:
Normal
Assignee:
Category:
mdrun
Target version:
-
Difficulty:
uncategorized
Close

Description

There are some stubs in CMakeLists.txt files and fft5d.c for some kind of FFTW threading functionality, but at least some part of it seems to have been discarded. Is retaining this useful? Should something be cleaned up?

History

#1 Updated by Berk Hess over 6 years ago

Roland, if it's very easy to make this work again, I could benchmark it to see if it helps with GPUs. If it doesn't we should get rid of it.

#2 Updated by Szilárd Páll over 6 years ago

As a large part of our user-base will be running with OpenMP-only parallelization (on most desktops/workstations and with single-GPU runs), if the multithreaded FFTW has any relevant performance advantage, it would be good to enable this feature.

#3 Updated by Roland Schulz over 6 years ago

https://gerrit.gromacs.org/#/c/1895/ is a patch to enable multi-threaded FFTW. Since it doesn't show significant speed-up we abandoned it. If someone wants to revisit it in the future this would be a good starting point. For now all remaining code can be removed if that makes it cleaner.

#4 Updated by Roland Schulz over 6 years ago

PS: I didn't benchmark with GPU. But given that I looked at the PME time by itself it shouldn't matter. I only benchmarked on a two socket 6 core Sandy Bridge. Should we benchmark any other hardware or is this sufficient?

#5 Updated by Mark Abraham over 6 years ago

OK, sounds like this stuff should be history. I'll remove it as part of my FFT upgrading. No need to make a branch or anything - one point of version control is that you can find old stuff with things like

git log -G'FFTW_THREADS'

#6 Updated by Mark Abraham over 6 years ago

Hrrrm I can't reassign it to me :-( Berk, please do.

#7 Updated by Rossen Apostolov over 6 years ago

  • Assignee changed from Berk Hess to Mark Abraham

#8 Updated by Rossen Apostolov over 6 years ago

Mark: I added you to the manager list

#9 Updated by Mark Abraham over 6 years ago

I have some stuff sitting around in gerrit drafts await resolution of some other issues.

#10 Updated by Erik Lindahl over 6 years ago

  • Target version changed from 4.6 to future

#11 Updated by Mark Abraham about 6 years ago

  • Target version changed from future to 4.6.x

#12 Updated by Teemu Murtola over 5 years ago

  • Project changed from Source code reorganization to GROMACS
  • Category set to mdrun
  • Status changed from New to Accepted
  • Target version changed from 4.6.x to 5.x

Looks like this is still pending. Not likely to happen for 4.6 or 5.0.

#13 Updated by Mark Abraham about 3 years ago

  • Target version deleted (5.x)

Also available in: Atom PDF