{2023.06}[2023a,zen4] LAMMPS 2Aug2023 for zen4 #705

laraPPr · 2024-09-17T11:46:09Z

Building LAMMPS 2Aug2023 requires https://github.com/easybuilders/easybuild-easyblocks/pull/3336/files which is part of EasyBuild 4.9.3

eessi-bot · 2024-09-17T11:46:13Z

Instance eessi-bot-mc-aws is configured to build for:

architectures: x86_64/generic, x86_64/intel/haswell, x86_64/intel/skylake_avx512, x86_64/amd/zen2, x86_64/amd/zen3, aarch64/generic, aarch64/neoverse_n1, aarch64/neoverse_v1
repositories: eessi-hpc.org-2023.06-compat, eessi-hpc.org-2023.06-software, eessi.io-2023.06-software, eessi.io-2023.06-compat

eessi-build-deploy-bot-deucalion · 2024-09-17T11:46:14Z

Instance boegel-bot-deucalion is configured to build for:

architectures: aarch64/a64fx
repositories: eessi.io-2023.06-software

eessi-bot · 2024-09-17T11:46:14Z

Instance eessi-bot-mc-azure is configured to build for:

architectures: x86_64/amd/zen4
repositories: eessi-hpc.org-2023.06-compat, eessi.io-2023.06-compat, eessi-hpc.org-2023.06-software, eessi.io-2023.06-software

laraPPr · 2024-09-17T11:47:18Z

bot: build repo:eessi.io-2023.06-software arch:zen4

eessi-bot · 2024-09-17T11:47:21Z

Updates by the bot instance eessi-bot-mc-aws (click for details)

received bot command build repo:eessi.io-2023.06-software arch:zen4 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:zen4
handling command build repository:eessi.io-2023.06-software architecture:zen4 resulted in:
- no jobs were submitted

eessi-build-deploy-bot-deucalion · 2024-09-17T11:47:21Z

Updates by the bot instance boegel-bot-deucalion (click for details)

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eessi-bot · 2024-09-17T11:47:21Z

Updates by the bot instance eessi-bot-mc-azure (click for details)

received bot command build repo:eessi.io-2023.06-software arch:zen4 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:zen4
handling command build repository:eessi.io-2023.06-software architecture:zen4 resulted in:
- submitted job 702, for details & status see {2023.06}[2023a,zen4] LAMMPS 2Aug2023 for zen4 #705 (comment)

eessi-bot · 2024-09-17T11:47:25Z

New job on instance eessi-bot-mc-azure for architecture x86_64-amd-zen4 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_705/702

date	job status	comment
Sep 17 11:47:24 UTC 2024	submitted	job id `702` awaits release by job manager
Sep 17 11:47:54 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 17 11:51:57 UTC 2024	running	job `702` is running
Sep 17 13:04:35 UTC 2024	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-702.out` ❌ found message matching `ERROR:` ❌ found message matching `FAILED:` ❌ found message matching `required modules missing:` ❌ no message matching `No missing installations` ✅ found message matching `.tar.gz created!` Artefacts `eessi-2023.06-software-linux-x86_64-amd-zen4-1726574495.tar.gz` size: 43 MiB (45438068 bytes) entries: 672 modules under 2023.06/software/linux/x86_64/amd/zen4/modules/all `MDI/1.4.26-gompi-2023a.lua` `ScaFaCoS/1.0.4-foss-2023a.lua` `Voro++/0.4.6-GCCcore-12.3.0.lua` `archspec/0.2.1-GCCcore-12.3.0.lua` `kim-api/2.3.0-GCC-12.3.0.lua` `tbb/2021.11.0-GCCcore-12.3.0.lua` software under 2023.06/software/linux/x86_64/amd/zen4/software `MDI/1.4.26-gompi-2023a` `ScaFaCoS/1.0.4-foss-2023a` `Voro++/0.4.6-GCCcore-12.3.0` `archspec/0.2.1-GCCcore-12.3.0` `kim-api/2.3.0-GCC-12.3.0` `tbb/2021.11.0-GCCcore-12.3.0` other under 2023.06/software/linux/x86_64/amd/zen4 no other files in tarball
Sep 17 13:04:35 UTC 2024	test result	😢 FAILURE (click triangle for details) Reason EESSI test suite produced failures. ReFrame Summary [ FAILED ] Ran 13/13 test case(s) from 13 check(s) (1 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-702.out` ❌ found message matching `ERROR:` ❌ found message matching `[\sFAILED\s].Ran . test case`

laraPPr · 2024-09-17T12:06:33Z

@boegel You can also try to build for A64FX has the same amount of missing dependencies as the zen4 stack

boegel · 2024-09-17T12:45:04Z

@boegel You can also try to build for A64FX has the same amount of missing dependencies as the zen4 stack

I can, but if I do this for this PR, it will first try to install everything else already included in easystacks/software.eessi.io/2023.06/zen4/*.yml, so we should open a dedicated PR for easystacks/software.eessi.io/2023.06/a64fx/*.yml

laraPPr · 2024-09-17T12:50:01Z

@boegel You can also try to build for A64FX has the same amount of missing dependencies as the zen4 stack

I can, but if I do this for this PR, it will first try to install everything else already included in easystacks/software.eessi.io/2023.06/zen4/*.yml, so we should open a dedicated PR for easystacks/software.eessi.io/2023.06/a64fx/*.yml

Ah I'll open a seperate pr for easystacks/software.eessi.io/2023.06/a64fx/*.yml

laraPPr · 2024-09-17T12:57:45Z

since I started a new stack for EasyBuild 4.9.3 it will only pick up the changes in that EasyStack right. So in this case it would only pick up a64fx. But for clarity it might be best that we keep them seperate to some extend.

laraPPr · 2024-09-17T13:28:48Z

== 2024-09-17 12:01:03,066 run.py:689 DEBUG cmd "python -c 'from archspec.cpu import host; print(host())'" exited with exit code 0 and output:

x86_64_v4

The output should be zen4 not sure why this happened this did not happen when building at Gent with zen4

boegel · 2024-09-17T13:30:50Z

since I started a new stack for EasyBuild 4.9.3 it will only pick up the changes in that EasyStack right. So in this case it would only pick up a64fx. But for clarity it might be best that we keep them seperate to some extend.

That's true, I overlooked that.

boegel · 2024-09-17T13:33:25Z

== 2024-09-17 12:01:03,066 run.py:689 DEBUG cmd "python -c 'from archspec.cpu import host; print(host())'" exited with exit code 0 and output:

x86_64_v4
The output should be zen4 not sure why this happened this did not happen when building at Gent with zen4

This probably indicates that one of the CPU features expected by archspec for zen4 can't be found, so it "falls back" to x86_64_v4; see also https://github.com/archspec/archspec-json/blob/master/cpu/microarchitectures.json#L2140

It isn't the first time this happens in AWS or Azure, see for example archspec/archspec-json#38

laraPPr · 2024-09-17T13:41:04Z

So than set it in a hook or add this to the easyBlock?

ocaisa · 2024-09-17T13:48:34Z

In this case it would need to be a hook, perhaps we should be doing this anyway given that we use archdetect rather than archspec.

You can use a parse hook that sets the correct value for kokkos_arch, with a table that maps between the environment variable EESSI_SOFTWARE_SUBDIR and the value LAMMPS/Kokkos expects

laraPPr · 2024-09-17T13:56:55Z

Yeah we did the same in the pilot so I can copy and update that

laraPPr · 2024-09-18T07:59:11Z

bot: build repo:eessi.io-2023.06-software arch:zen4

eessi-bot · 2024-09-18T07:59:14Z

Updates by the bot instance eessi-bot-mc-aws (click for details)

received bot command build repo:eessi.io-2023.06-software arch:zen4 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:zen4
handling command build repository:eessi.io-2023.06-software architecture:zen4 resulted in:
- no jobs were submitted

eessi-build-deploy-bot-deucalion · 2024-09-18T07:59:14Z

Updates by the bot instance boegel-bot-deucalion (click for details)

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eessi-bot · 2024-09-18T07:59:14Z

Updates by the bot instance eessi-bot-mc-azure (click for details)

received bot command build repo:eessi.io-2023.06-software arch:zen4 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:zen4
handling command build repository:eessi.io-2023.06-software architecture:zen4 resulted in:
- submitted job 801, for details & status see {2023.06}[2023a,zen4] LAMMPS 2Aug2023 for zen4 #705 (comment)

eessi-bot · 2024-09-18T07:59:18Z

New job on instance eessi-bot-mc-azure for architecture x86_64-amd-zen4 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_705/801

date	job status	comment
Sep 18 07:59:17 UTC 2024	submitted	job id `801` awaits release by job manager
Sep 18 07:59:22 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 18 08:03:25 UTC 2024	running	job `801` is running
Sep 18 08:29:54 UTC 2024	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-801.out` ❌ found message matching `ERROR:` ❌ found message matching `FAILED:` ❌ found message matching `required modules missing:` ❌ no message matching `No missing installations` ✅ found message matching `.tar.gz created!` Artefacts `eessi-2023.06-software-linux-x86_64-amd-zen4-1726647983.tar.gz` size: 43 MiB (45446312 bytes) entries: 673 modules under 2023.06/software/linux/x86_64/amd/zen4/modules/all `MDI/1.4.26-gompi-2023a.lua` `ScaFaCoS/1.0.4-foss-2023a.lua` `Voro++/0.4.6-GCCcore-12.3.0.lua` `archspec/0.2.1-GCCcore-12.3.0.lua` `kim-api/2.3.0-GCC-12.3.0.lua` `tbb/2021.11.0-GCCcore-12.3.0.lua` software under 2023.06/software/linux/x86_64/amd/zen4/software `MDI/1.4.26-gompi-2023a` `ScaFaCoS/1.0.4-foss-2023a` `Voro++/0.4.6-GCCcore-12.3.0` `archspec/0.2.1-GCCcore-12.3.0` `kim-api/2.3.0-GCC-12.3.0` `tbb/2021.11.0-GCCcore-12.3.0` other under 2023.06/software/linux/x86_64/amd/zen4 `2023.06/init/easybuild/eb_hooks.py`
Sep 18 08:29:54 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 4/4 test case(s) from 4 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-801.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

eb_hooks.py

laraPPr · 2024-09-18T10:21:04Z

Made a stupid mistake should be fixed now

laraPPr · 2024-09-18T10:21:14Z

bot: build repo:eessi.io-2023.06-software arch:zen4

eessi-bot · 2024-09-18T10:21:17Z

Updates by the bot instance eessi-bot-mc-aws (click for details)

received bot command build repo:eessi.io-2023.06-software arch:zen4 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:zen4
handling command build repository:eessi.io-2023.06-software architecture:zen4 resulted in:
- no jobs were submitted

eessi-bot · 2024-09-18T10:21:17Z

Updates by the bot instance eessi-bot-mc-azure (click for details)

received bot command build repo:eessi.io-2023.06-software arch:zen4 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:zen4
handling command build repository:eessi.io-2023.06-software architecture:zen4 resulted in:
- submitted job 802, for details & status see {2023.06}[2023a,zen4] LAMMPS 2Aug2023 for zen4 #705 (comment)

eessi-build-deploy-bot-deucalion · 2024-09-18T10:21:17Z

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eessi-bot · 2024-09-18T10:21:22Z

New job on instance eessi-bot-mc-azure for architecture x86_64-amd-zen4 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_705/802

date	job status	comment
Sep 18 10:21:20 UTC 2024	submitted	job id `802` awaits release by job manager
Sep 18 10:22:09 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 18 10:26:12 UTC 2024	running	job `802` is running
Sep 18 10:38:29 UTC 2024	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-802.out` ❌ found message matching `ERROR:` ❌ found message matching `FAILED:` ❌ found message matching `required modules missing:` ❌ no message matching `No missing installations` ✅ found message matching `.tar.gz created!` Artefacts `eessi-2023.06-software-linux-x86_64-amd-zen4-1726655715.tar.gz` size: 43 MiB (45441588 bytes) entries: 673 modules under 2023.06/software/linux/x86_64/amd/zen4/modules/all `MDI/1.4.26-gompi-2023a.lua` `ScaFaCoS/1.0.4-foss-2023a.lua` `Voro++/0.4.6-GCCcore-12.3.0.lua` `archspec/0.2.1-GCCcore-12.3.0.lua` `kim-api/2.3.0-GCC-12.3.0.lua` `tbb/2021.11.0-GCCcore-12.3.0.lua` software under 2023.06/software/linux/x86_64/amd/zen4/software `MDI/1.4.26-gompi-2023a` `ScaFaCoS/1.0.4-foss-2023a` `Voro++/0.4.6-GCCcore-12.3.0` `archspec/0.2.1-GCCcore-12.3.0` `kim-api/2.3.0-GCC-12.3.0` `tbb/2021.11.0-GCCcore-12.3.0` other under 2023.06/software/linux/x86_64/amd/zen4 `2023.06/init/easybuild/eb_hooks.py`
Sep 18 10:38:29 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 4/4 test case(s) from 4 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-802.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

eb_hooks.py

laraPPr · 2024-09-18T10:55:59Z

bot: build repo:eessi.io-2023.06-software arch:zen4

eessi-bot · 2024-09-18T10:56:02Z

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- expanded format: build repository:eessi.io-2023.06-software architecture:zen4
handling command build repository:eessi.io-2023.06-software architecture:zen4 resulted in:
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eessi-bot · 2024-09-18T10:56:02Z

Updates by the bot instance eessi-bot-mc-azure (click for details)

received bot command build repo:eessi.io-2023.06-software arch:zen4 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:zen4
handling command build repository:eessi.io-2023.06-software architecture:zen4 resulted in:
- submitted job 804, for details & status see {2023.06}[2023a,zen4] LAMMPS 2Aug2023 for zen4 #705 (comment)

eessi-bot · 2024-09-18T10:56:07Z

New job on instance eessi-bot-mc-azure for architecture x86_64-amd-zen4 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_705/804

date	job status	comment
Sep 18 10:56:05 UTC 2024	submitted	job id `804` awaits release by job manager
Sep 18 10:56:35 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 18 10:57:38 UTC 2024	running	job `804` is running
Sep 18 11:18:15 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-804.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-zen4-1726658008.tar.gz` size: 195 MiB (205467400 bytes) entries: 5134 modules under 2023.06/software/linux/x86_64/amd/zen4/modules/all `LAMMPS/2Aug2023_update2-foss-2023a-kokkos.lua` `MDI/1.4.26-gompi-2023a.lua` `ScaFaCoS/1.0.4-foss-2023a.lua` `Voro++/0.4.6-GCCcore-12.3.0.lua` `archspec/0.2.1-GCCcore-12.3.0.lua` `kim-api/2.3.0-GCC-12.3.0.lua` `tbb/2021.11.0-GCCcore-12.3.0.lua` software under 2023.06/software/linux/x86_64/amd/zen4/software `LAMMPS/2Aug2023_update2-foss-2023a-kokkos` `MDI/1.4.26-gompi-2023a` `ScaFaCoS/1.0.4-foss-2023a` `Voro++/0.4.6-GCCcore-12.3.0` `archspec/0.2.1-GCCcore-12.3.0` `kim-api/2.3.0-GCC-12.3.0` `tbb/2021.11.0-GCCcore-12.3.0` other under 2023.06/software/linux/x86_64/amd/zen4 `2023.06/init/easybuild/eb_hooks.py`
Sep 18 11:18:15 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 5/5 test case(s) from 5 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-804.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 18 12:14:19 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-amd-zen4-1726658008.tar.gz` to S3 bucket succeeded

laraPPr · 2024-09-18T11:18:40Z

Succes!!

boegel

lgtm

boegel · 2024-09-18T12:14:16Z

Ah snap, I merged before doing the deploy 🤦

Should still work though, deploy triggered...

lara added 2 commits September 17, 2024 13:40

{2023.06}[2023a,zen4] LAMMPS 2Aug2023 for zen4

b81151a

Merge branch '2023.06-software.eessi.io' into complete_zen4

71b5c47

laraPPr added 2023.06-software.eessi.io 2023.06 version of software.eessi.io zen4 labels Sep 17, 2024

add hook for zen4 builds to set

0eee496

laraPPr commented Sep 18, 2024

View reviewed changes

eb_hooks.py Outdated Show resolved Hide resolved

Set correct kokkos variable

eba92ca

laraPPr commented Sep 18, 2024

View reviewed changes

eb_hooks.py Outdated Show resolved Hide resolved

fix lammps version in hook

54faa34

laraPPr added the ready-to-deploy Mark a PR as ready to deploy label Sep 18, 2024

boegel approved these changes Sep 18, 2024

View reviewed changes

boegel merged commit 105d191 into EESSI:2023.06-software.eessi.io Sep 18, 2024
35 checks passed

boegel added the bot:deploy Ask bot to deploy missing software installations to EESSI label Sep 18, 2024

laraPPr mentioned this pull request Sep 18, 2024

{2023.06}[2023a,zen4] JupyterNotebook v7.0.2 #713

Merged

{2023.06}[2023a,zen4] LAMMPS 2Aug2023 for zen4 #705

{2023.06}[2023a,zen4] LAMMPS 2Aug2023 for zen4 #705

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