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@akesandgren akesandgren commented Oct 26, 2021

(created using eb --new-pr)

edit (by @boegel): requires easybuilders/easybuild-easyconfigs#14212 for GROMACS 2019.3 with foss*/2019b toolchain

@boegel boegel changed the title Detect problem with compiling cpu detection code in GROMACS easyblock. detect problem with compiling CPU detection code in configure output in GROMACS easyblock Oct 27, 2021
@boegel boegel modified the milestones: 4.x, 4.5.0 (next release) Oct 27, 2021
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boegel commented Oct 27, 2021

Test report by @boegel

Overview of tested easyconfigs (in order)

  • SUCCESS GROMACS-2016-foss-2016b-mt.eb
  • SUCCESS GROMACS-2019.2-fosscuda-2019a.eb
  • SUCCESS GROMACS-2019.3-foss-2019a.eb
  • SUCCESS GROMACS-2019.3-foss-2019b.eb
  • SUCCESS GROMACS-2019.3-fosscuda-2019a.eb
  • SUCCESS GROMACS-2019.3-fosscuda-2019b.eb
  • SUCCESS GROMACS-2019.4-foss-2019b.eb
  • FAIL (build issue) GROMACS-2019.6-fosscuda-2019b.eb (partial log available at https://gist.github.com/449db3dfab32a4951146dde1c7e77102)
  • SUCCESS GROMACS-2019-foss-2018b.eb
  • SUCCESS GROMACS-2019-fosscuda-2018b.eb
  • SUCCESS GROMACS-2020.1-foss-2020a-Python-3.8.2.eb
  • SUCCESS GROMACS-2020.3-fosscuda-2019b.eb
  • SUCCESS GROMACS-2020.4-foss-2020a-Python-3.8.2.eb
  • SUCCESS GROMACS-2020-foss-2019b.eb
  • SUCCESS GROMACS-2020-fosscuda-2019b.eb
  • SUCCESS GROMACS-2021-foss-2020b.eb

Build succeeded for 15 out of 16 (16 easyconfigs in total)
node2635.swalot.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) CPU E5-2660 v3 @ 2.60GHz (haswell), Python 3.6.8
See https://gist.github.com/4e275ea6d9673eff6af601428287cf82 for a full test report.

edit: GROMACS-2019.6-fosscuda-2019b.eb failed because of an existing lock file, so trying that one again...

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boegel commented Oct 27, 2021

Test report by @boegel

Overview of tested easyconfigs (in order)

  • SUCCESS GROMACS-2019.6-fosscuda-2019b.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
node2635.swalot.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) CPU E5-2660 v3 @ 2.60GHz (haswell), Python 3.6.8
See https://gist.github.com/cccb75584786ba1e0c00f33e46cf5452 for a full test report.

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lgtm

@boegel boegel merged commit cac0849 into easybuilders:develop Oct 27, 2021
@akesandgren akesandgren deleted the 20211026211029_new_pr_gromacs branch October 28, 2021 06:22
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