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{2023.06}[foss/2021a] QuantumESPRESSO v6.7 #281

Merged
merged 1 commit into from
Jun 26, 2023
Merged

{2023.06}[foss/2021a] QuantumESPRESSO v6.7 #281

merged 1 commit into from
Jun 26, 2023

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TopRichard
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Trying to add QuantumESPRESSO/6.7 with GCC/10.3.0 to EESSI pilot 2023.06

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eessi-bot bot commented Jun 26, 2023

Instance eessi-bot-citc-aws is configured to build:

  • arch x86_64/generic for repo eessi-2021.12
  • arch x86_64/generic for repo eessi-2023.06-compat
  • arch x86_64/generic for repo eessi-2023.06-software
  • arch x86_64/intel/haswell for repo eessi-2021.12
  • arch x86_64/intel/haswell for repo eessi-2023.06-compat
  • arch x86_64/intel/haswell for repo eessi-2023.06-software
  • arch x86_64/intel/skylake_avx512 for repo eessi-2021.12
  • arch x86_64/intel/skylake_avx512 for repo eessi-2023.06-compat
  • arch x86_64/intel/skylake_avx512 for repo eessi-2023.06-software
  • arch x86_64/amd/zen2 for repo eessi-2021.12
  • arch x86_64/amd/zen2 for repo eessi-2023.06-compat
  • arch x86_64/amd/zen2 for repo eessi-2023.06-software
  • arch x86_64/amd/zen3 for repo eessi-2021.12
  • arch x86_64/amd/zen3 for repo eessi-2023.06-compat
  • arch x86_64/amd/zen3 for repo eessi-2023.06-software
  • arch aarch64/generic for repo eessi-2021.12
  • arch aarch64/generic for repo eessi-2023.06-compat
  • arch aarch64/generic for repo eessi-2023.06-software
  • arch aarch64/neoverse_n1 for repo eessi-2021.12
  • arch aarch64/neoverse_n1 for repo eessi-2023.06-compat
  • arch aarch64/neoverse_n1 for repo eessi-2023.06-software
  • arch aarch64/neoverse_v1 for repo eessi-2021.12
  • arch aarch64/neoverse_v1 for repo eessi-2023.06-compat
  • arch aarch64/neoverse_v1 for repo eessi-2023.06-software

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bot: build repo:eessi-2023.06-software arch:x86_64/generic
bot: build repo:eessi-2023.06-software arch:x86_64/intel/haswell
bot: build repo:eessi-2023.06-software arch:x86_64/intel/skylake_avx512
bot: build repo:eessi-2023.06-software arch:x86_64/amd/zen3
bot: build repo:eessi-2023.06-software arch:aarch64/generic
bot: build repo:eessi-2023.06-software arch:aarch64/neoverse_v1
bot: build repo:eessi-2023.06-software arch:aarch64/neoverse_n1

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eessi-bot bot commented Jun 26, 2023 •
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Updates by the bot instance eessi-bot-citc-aws (click for details)

  • received bot command build repo:eessi-2023.06-software arch:x86_64/generic from TopRichard

    • expanded format: build repository:eessi-2023.06-software architecture:x86_64/generic

  • received bot command build repo:eessi-2023.06-software arch:x86_64/intel/haswell from TopRichard

    • expanded format: build repository:eessi-2023.06-software architecture:x86_64/intel/haswell

  • received bot command build repo:eessi-2023.06-software arch:x86_64/intel/skylake_avx512 from TopRichard

    • expanded format: build repository:eessi-2023.06-software architecture:x86_64/intel/skylake_avx512

  • received bot command build repo:eessi-2023.06-software arch:x86_64/amd/zen3 from TopRichard

    • expanded format: build repository:eessi-2023.06-software architecture:x86_64/amd/zen3

  • received bot command build repo:eessi-2023.06-software arch:aarch64/generic from TopRichard

    • expanded format: build repository:eessi-2023.06-software architecture:aarch64/generic

  • received bot command build repo:eessi-2023.06-software arch:aarch64/neoverse_v1 from TopRichard

    • expanded format: build repository:eessi-2023.06-software architecture:aarch64/neoverse_v1

  • received bot command build repo:eessi-2023.06-software arch:aarch64/neoverse_n1 from TopRichard

    • expanded format: build repository:eessi-2023.06-software architecture:aarch64/neoverse_n1

  • handling command build repository:eessi-2023.06-software architecture:x86_64/generic resulted in:

  • handling command build repository:eessi-2023.06-software architecture:x86_64/intel/haswell resulted in:

  • handling command build repository:eessi-2023.06-software architecture:x86_64/intel/skylake_avx512 resulted in:

  • handling command build repository:eessi-2023.06-software architecture:x86_64/amd/zen3 resulted in:

  • handling command build repository:eessi-2023.06-software architecture:aarch64/generic resulted in:

  • handling command build repository:eessi-2023.06-software architecture:aarch64/neoverse_v1 resulted in:

  • handling command build repository:eessi-2023.06-software architecture:aarch64/neoverse_n1 resulted in:

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New job on instance eessi-bot-citc-aws for architecture x86_64-generic for repository eessi-2023.06-software in job dir /mnt/shared/home/bot/eessi-bot-software-layer/jobs/2023.06/pr_281/5576

date job status comment
Jun 26 09:42:59 UTC 2023 submitted job id 5576 awaits release by job manager
Jun 26 09:44:15 UTC 2023 released job awaits launch by Slurm scheduler
Jun 26 09:47:30 UTC 2023 running job 5576 is running
Jun 26 10:56:51 UTC 2023 finished
😁 SUCCESS (click triangle for details)
Details
✅ job output file slurm-5576.out
✅ no message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
✅ found message(s) matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-x86_64-generic-1687776881.tar.gzsize: 222 MiB (233704353 bytes)
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Jun 26 13:42:17 UTC 2023 uploaded transfer of eessi-2023.06-software-linux-x86_64-generic-1687776881.tar.gz to S3 bucket succeeded

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New job on instance eessi-bot-citc-aws for architecture x86_64-intel-haswell for repository eessi-2023.06-software in job dir /mnt/shared/home/bot/eessi-bot-software-layer/jobs/2023.06/pr_281/5577

date job status comment
Jun 26 09:43:06 UTC 2023 submitted job id 5577 awaits release by job manager
Jun 26 09:44:12 UTC 2023 released job awaits launch by Slurm scheduler
Jun 26 09:47:27 UTC 2023 running job 5577 is running
Jun 26 10:56:50 UTC 2023 finished
😁 SUCCESS (click triangle for details)
Details
✅ job output file slurm-5577.out
✅ no message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
✅ found message(s) matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-x86_64-intel-haswell-1687776886.tar.gzsize: 228 MiB (239684001 bytes)
entries: 597
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Jun 26 13:40:56 UTC 2023 uploaded transfer of eessi-2023.06-software-linux-x86_64-intel-haswell-1687776886.tar.gz to S3 bucket succeeded

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eessi-bot bot commented Jun 26, 2023 •
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New job on instance eessi-bot-citc-aws for architecture x86_64-intel-skylake_avx512 for repository eessi-2023.06-software in job dir /mnt/shared/home/bot/eessi-bot-software-layer/jobs/2023.06/pr_281/5578

date job status comment
Jun 26 09:43:13 UTC 2023 submitted job id 5578 awaits release by job manager
Jun 26 09:44:10 UTC 2023 released job awaits launch by Slurm scheduler
Jun 26 09:47:26 UTC 2023 running job 5578 is running
Jun 26 10:47:07 UTC 2023 finished
😁 SUCCESS (click triangle for details)
Details
✅ job output file slurm-5578.out
✅ no message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
✅ found message(s) matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-x86_64-intel-skylake_avx512-1687776305.tar.gzsize: 229 MiB (240916337 bytes)
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Jun 26 13:41:41 UTC 2023 uploaded transfer of eessi-2023.06-software-linux-x86_64-intel-skylake_avx512-1687776305.tar.gz to S3 bucket succeeded

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eessi-bot bot commented Jun 26, 2023 •
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New job on instance eessi-bot-citc-aws for architecture x86_64-amd-zen3 for repository eessi-2023.06-software in job dir /mnt/shared/home/bot/eessi-bot-software-layer/jobs/2023.06/pr_281/5579

date job status comment
Jun 26 09:43:19 UTC 2023 submitted job id 5579 awaits release by job manager
Jun 26 09:44:07 UTC 2023 released job awaits launch by Slurm scheduler
Jun 26 09:47:24 UTC 2023 running job 5579 is running
Jun 26 10:36:04 UTC 2023 finished
😁 SUCCESS (click triangle for details)
Details
✅ job output file slurm-5579.out
✅ no message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
✅ found message(s) matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-x86_64-amd-zen3-1687775665.tar.gzsize: 227 MiB (238916283 bytes)
entries: 597
modules under 2023.06/software/linux/x86_64/amd/zen3/modules/all
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HDF5/1.10.7-gompi-2021a.lua
libxc/5.1.5-GCC-10.3.0.lua
QuantumESPRESSO/6.7-foss-2021a.lua
Szip/2.1.1-GCCcore-10.3.0.lua
software under 2023.06/software/linux/x86_64/amd/zen3/software
ELPA/2021.05.001-foss-2021a
HDF5/1.10.7-gompi-2021a
libxc/5.1.5-GCC-10.3.0
QuantumESPRESSO/6.7-foss-2021a
Szip/2.1.1-GCCcore-10.3.0
other under 2023.06/software/linux/x86_64/amd/zen3
.lmod/cache/spiderT.lua
.lmod/cache/spiderT.luac_5.1
.lmod/cache/timestamp
Jun 26 13:41:30 UTC 2023 uploaded transfer of eessi-2023.06-software-linux-x86_64-amd-zen3-1687775665.tar.gz to S3 bucket succeeded

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New job on instance eessi-bot-citc-aws for architecture aarch64-generic for repository eessi-2023.06-software in job dir /mnt/shared/home/bot/eessi-bot-software-layer/jobs/2023.06/pr_281/5580

date job status comment
Jun 26 09:43:26 UTC 2023 submitted job id 5580 awaits release by job manager
Jun 26 09:44:04 UTC 2023 released job awaits launch by Slurm scheduler
Jun 26 09:47:22 UTC 2023 running job 5580 is running
Jun 26 10:52:34 UTC 2023 finished
😁 SUCCESS (click triangle for details)
Details
✅ job output file slurm-5580.out
✅ no message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
✅ found message(s) matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-aarch64-generic-1687776684.tar.gzsize: 211 MiB (221761342 bytes)
entries: 597
modules under 2023.06/software/linux/aarch64/generic/modules/all
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libxc/5.1.5-GCC-10.3.0.lua
QuantumESPRESSO/6.7-foss-2021a.lua
Szip/2.1.1-GCCcore-10.3.0.lua
software under 2023.06/software/linux/aarch64/generic/software
ELPA/2021.05.001-foss-2021a
HDF5/1.10.7-gompi-2021a
libxc/5.1.5-GCC-10.3.0
QuantumESPRESSO/6.7-foss-2021a
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other under 2023.06/software/linux/aarch64/generic
.lmod/cache/spiderT.lua
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.lmod/cache/timestamp
Jun 26 13:41:18 UTC 2023 uploaded transfer of eessi-2023.06-software-linux-aarch64-generic-1687776684.tar.gz to S3 bucket succeeded

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eessi-bot bot commented Jun 26, 2023 •
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New job on instance eessi-bot-citc-aws for architecture aarch64-neoverse_v1 for repository eessi-2023.06-software in job dir /mnt/shared/home/bot/eessi-bot-software-layer/jobs/2023.06/pr_281/5581

date job status comment
Jun 26 09:43:32 UTC 2023 submitted job id 5581 awaits release by job manager
Jun 26 09:44:01 UTC 2023 released job awaits launch by Slurm scheduler
Jun 26 09:47:20 UTC 2023 running job 5581 is running
Jun 26 10:36:02 UTC 2023 finished
😁 SUCCESS (click triangle for details)
Details
✅ job output file slurm-5581.out
✅ no message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
✅ found message(s) matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-aarch64-neoverse_v1-1687775685.tar.gzsize: 207 MiB (217492091 bytes)
entries: 597
modules under 2023.06/software/linux/aarch64/neoverse_v1/modules/all
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libxc/5.1.5-GCC-10.3.0.lua
QuantumESPRESSO/6.7-foss-2021a.lua
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.lmod/cache/timestamp
Jun 26 13:42:05 UTC 2023 uploaded transfer of eessi-2023.06-software-linux-aarch64-neoverse_v1-1687775685.tar.gz to S3 bucket succeeded

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New job on instance eessi-bot-citc-aws for architecture aarch64-neoverse_n1 for repository eessi-2023.06-software in job dir /mnt/shared/home/bot/eessi-bot-software-layer/jobs/2023.06/pr_281/5582

date job status comment
Jun 26 09:43:39 UTC 2023 submitted job id 5582 awaits release by job manager
Jun 26 09:43:59 UTC 2023 released job awaits launch by Slurm scheduler
Jun 26 09:47:18 UTC 2023 running job 5582 is running
Jun 26 10:54:44 UTC 2023 finished
😁 SUCCESS (click triangle for details)
Details
✅ job output file slurm-5582.out
✅ no message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
✅ found message(s) matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-aarch64-neoverse_n1-1687776762.tar.gzsize: 207 MiB (217491678 bytes)
entries: 597
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libxc/5.1.5-GCC-10.3.0.lua
QuantumESPRESSO/6.7-foss-2021a.lua
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.lmod/cache/spiderT.lua
.lmod/cache/spiderT.luac_5.1
.lmod/cache/timestamp
Jun 26 13:41:07 UTC 2023 uploaded transfer of eessi-2023.06-software-linux-aarch64-neoverse_n1-1687776762.tar.gz to S3 bucket succeeded

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boegel commented Jun 26, 2023

@TopRichard Don't forget to also build arch:x86_64/amd/zen2 ! :)

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bot: build repo:eessi-2023.06-software arch:arch:x86_64/amd/zen2

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Updates by the bot instance eessi-bot-citc-aws (click for details)
  • parsing the bot command build repo:eessi-2023.06-software arch:arch:x86_64/amd/zen2, received from sender TopRichard, failed

@boegel boegel changed the title adding QuantumESPRESSO/6.7 with GCC/10.3.0 to EESSI pilot 2023.06 {2023.06}[foss/2021a] QuantumESPRESSO v6.7 Jun 26, 2023
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lgtm

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bot: build repo:eessi-2023.06-software arch:x86_64/amd/zen2

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eessi-bot bot commented Jun 26, 2023 •
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Updates by the bot instance eessi-bot-citc-aws (click for details)

  • received bot command build repo:eessi-2023.06-software arch:x86_64/amd/zen2 from TopRichard

    • expanded format: build repository:eessi-2023.06-software architecture:x86_64/amd/zen2

  • handling command build repository:eessi-2023.06-software architecture:x86_64/amd/zen2 resulted in:

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New job on instance eessi-bot-citc-aws for architecture x86_64-amd-zen2 for repository eessi-2023.06-software in job dir /mnt/shared/home/bot/eessi-bot-software-layer/jobs/2023.06/pr_281/5583

date job status comment
Jun 26 10:08:24 UTC 2023 submitted job id 5583 awaits release by job manager
Jun 26 10:08:35 UTC 2023 released job awaits launch by Slurm scheduler
Jun 26 10:12:07 UTC 2023 running job 5583 is running
Jun 26 11:13:12 UTC 2023 finished
😁 SUCCESS (click triangle for details)
Details
✅ job output file slurm-5583.out
✅ no message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
✅ found message(s) matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-x86_64-amd-zen2-1687777906.tar.gzsize: 227 MiB (238918729 bytes)
entries: 597
modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all
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HDF5/1.10.7-gompi-2021a.lua
libxc/5.1.5-GCC-10.3.0.lua
QuantumESPRESSO/6.7-foss-2021a.lua
Szip/2.1.1-GCCcore-10.3.0.lua
software under 2023.06/software/linux/x86_64/amd/zen2/software
ELPA/2021.05.001-foss-2021a
HDF5/1.10.7-gompi-2021a
libxc/5.1.5-GCC-10.3.0
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Szip/2.1.1-GCCcore-10.3.0
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.lmod/cache/timestamp
Jun 26 13:41:54 UTC 2023 uploaded transfer of eessi-2023.06-software-linux-x86_64-amd-zen2-1687777906.tar.gz to S3 bucket succeeded

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TopRichard commented Jun 26, 2023 •
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@boegel Unable to set label: pilot-2023.06

@TopRichard TopRichard added pilot-2023.06 bot:deploy Ask bot to deploy missing software installations to EESSI ready-to-deploy Mark a PR as ready to deploy and removed bot:deploy Ask bot to deploy missing software installations to EESSI labels Jun 26, 2023
@boegel boegel added bot:deploy Ask bot to deploy missing software installations to EESSI and removed ready-to-deploy Mark a PR as ready to deploy labels Jun 26, 2023
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boegel commented Jun 26, 2023

All ingests have been triggered, should be able to re-trigger CI in ~30min to make it green...

@boegel boegel merged commit c2f0d67 into EESSI:2023.06 Jun 26, 2023
@TopRichard TopRichard deleted the eessi-2023.06-QuantumESPRESSO/6.7-foss/2021a branch December 20, 2023 19:17
TopRichard pushed a commit to TopRichard/bot-software-layer1 that referenced this pull request Feb 26, 2024
@poksumdo
Merge pull request EESSI#281 from trz42/nessi-23.06-snakemake-2023a
7478ce5 
{2023.06}[foss/2023a] snakemake v8.4.2
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