{2023.06}[2022b,a64fx] QuantumESPRESSO 7.2 #1218

bedroge · 2025-10-05T13:22:15Z

Build failed in #1177 due to missing libxc sources, I've uploaded those to the bot account.

bedroge · 2025-10-05T13:23:00Z

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-deucalion for:arch=aarch64/a64fx

eessi-bot-deucalion · 2025-10-05T13:23:08Z

New job on instance eessi-bot-deucalion for repository eessi.io-2023.06-software
Building on: a64fx
Building for: aarch64/a64fx
Job dir: /home/eessibot/new-bot/jobs/2025.10/pr_1218/576126

date	job status	comment
Oct 05 13:23:07 UTC 2025	submitted	job id `576126` awaits release by job manager
Oct 05 13:23:14 UTC 2025	released	job awaits launch by Slurm scheduler
Oct 05 13:24:17 UTC 2025	running	job `576126` is running
Oct 05 16:15:45 UTC 2025	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-576126.out` ✅ no message matching `FATAL:` ❌ 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-aarch64-a64fx-17596806080.tar.gz` size: 11 MiB (12434331 bytes) entries: 474 modules under 2023.06/software/linux/aarch64/a64fx/modules/all `ELPA/2022.05.001-foss-2022b.lua` `HDF5/1.14.0-gompi-2022b.lua` `Szip/2.1.1-GCCcore-12.2.0.lua` software under 2023.06/software/linux/aarch64/a64fx/software `ELPA/2022.05.001-foss-2022b` `HDF5/1.14.0-gompi-2022b` `Szip/2.1.1-GCCcore-12.2.0` reprod directories under 2023.06/software/linux/aarch64/a64fx/reprod no reprod directories in tarball other under 2023.06/software/linux/aarch64/a64fx no other files in tarball
Oct 05 16:15:45 UTC 2025	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ SKIP ] ( 1/10) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) accodring to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 2/10) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) accodring to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 3/10) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) accodring to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 4/10) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) accodring to the current ReFrame configuration, but 49152 MiB is needed [ OK ] ( 5/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/29Aug2024-foss-2023b-kokkos %scale=1_node /aeb2d9df @BotBuildTests:aarch64_a64fx+default P: perf: 526.993 timesteps/s (r:0, l:None, u:None) [ OK ] ( 6/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos %scale=1_node /04ff9ece @BotBuildTests:aarch64_a64fx+default P: perf: 582.748 timesteps/s (r:0, l:None, u:None) [ OK ] ( 7/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /15cad6c4 @BotBuildTests:aarch64_a64fx+default P: latency: 1.69 us (r:0, l:None, u:None) [ OK ] ( 8/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /6672deda @BotBuildTests:aarch64_a64fx+default P: latency: 1.68 us (r:0, l:None, u:None) [ OK ] ( 9/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /2a9a47b1 @BotBuildTests:aarch64_a64fx+default P: bandwidth: 8855.35 MB/s (r:0, l:None, u:None) [ OK ] (10/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /1b24ab8e @BotBuildTests:aarch64_a64fx+default P: bandwidth: 8710.79 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 6/10 test case(s) from 10 check(s) (0 failure(s), 4 skipped, 0 aborted) Details ✅ job output file `slurm-576126.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

bedroge · 2025-10-05T17:26:32Z

The libxc build was killed:

gcc: fatal error: Killed signal terminated program cc1

We probably need to reduce the number of cores.

edit: see EESSI/software-layer-scripts#101

bedroge · 2025-10-06T06:57:07Z

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-deucalion for:arch=aarch64/a64fx

eessi-bot-deucalion · 2025-10-06T06:57:17Z

New job on instance eessi-bot-deucalion for repository eessi.io-2023.06-software
Building on: a64fx
Building for: aarch64/a64fx
Job dir: /home/eessibot/new-bot/jobs/2025.10/pr_1218/577768

date	job status	comment
Oct 06 06:57:16 UTC 2025	submitted	job id `577768` awaits release by job manager
Oct 06 06:57:53 UTC 2025	released	job awaits launch by Slurm scheduler
Oct 06 06:58:56 UTC 2025	running	job `577768` is running
Oct 06 14:12:56 UTC 2025	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-577768.out` ✅ no message matching `FATAL:` ✅ 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-a64fx-17597594540.tar.gz` size: 413 MiB (433404036 bytes) entries: 635 modules under 2023.06/software/linux/aarch64/a64fx/modules/all `ELPA/2022.05.001-foss-2022b.lua` `HDF5/1.14.0-gompi-2022b.lua` `QuantumESPRESSO/7.2-foss-2022b.lua` `Szip/2.1.1-GCCcore-12.2.0.lua` `libxc/6.1.0-GCC-12.2.0.lua` software under 2023.06/software/linux/aarch64/a64fx/software `ELPA/2022.05.001-foss-2022b` `HDF5/1.14.0-gompi-2022b` `QuantumESPRESSO/7.2-foss-2022b` `Szip/2.1.1-GCCcore-12.2.0` `libxc/6.1.0-GCC-12.2.0` reprod directories under 2023.06/software/linux/aarch64/a64fx/reprod no reprod directories in tarball other under 2023.06/software/linux/aarch64/a64fx no other files in tarball
Oct 06 14:12:56 UTC 2025	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ SKIP ] ( 1/10) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) accodring to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 2/10) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) accodring to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 3/10) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) accodring to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 4/10) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) accodring to the current ReFrame configuration, but 49152 MiB is needed [ OK ] ( 5/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/29Aug2024-foss-2023b-kokkos %scale=1_node /aeb2d9df @BotBuildTests:aarch64_a64fx+default P: perf: 581.414 timesteps/s (r:0, l:None, u:None) [ OK ] ( 6/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos %scale=1_node /04ff9ece @BotBuildTests:aarch64_a64fx+default P: perf: 583.402 timesteps/s (r:0, l:None, u:None) [ OK ] ( 7/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /15cad6c4 @BotBuildTests:aarch64_a64fx+default P: latency: 1.64 us (r:0, l:None, u:None) [ OK ] ( 8/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /6672deda @BotBuildTests:aarch64_a64fx+default P: latency: 1.76 us (r:0, l:None, u:None) [ OK ] ( 9/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /2a9a47b1 @BotBuildTests:aarch64_a64fx+default P: bandwidth: 8775.75 MB/s (r:0, l:None, u:None) [ OK ] (10/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /1b24ab8e @BotBuildTests:aarch64_a64fx+default P: bandwidth: 8764.3 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 6/10 test case(s) from 10 check(s) (0 failure(s), 4 skipped, 0 aborted) Details ✅ job output file `slurm-577768.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Oct 07 07:20:28 UTC 2025	uploaded	transfer of `eessi-2023.06-software-linux-aarch64-a64fx-17597594540.tar.gz` to S3 bucket succeeded

ocaisa

LGTM

ocaisa · 2025-10-07T07:49:07Z

Staging PR merged

add QuantumESPRESSO 7.2

2bf21ba

bedroge added 2023.06-software.eessi.io 2023.06 version of software.eessi.io a64fx labels Oct 5, 2025

solve merge conflict

0cf76cc

Merge branch 'main' into a64fx_qe72

fdd4252

bedroge mentioned this pull request Oct 5, 2025

{2023.06}[2022b,a64fx] apps originally built with EB 4.9.0 #1187

Merged

bedroge added the ready-to-deploy Mark a PR as ready to deploy label Oct 6, 2025

ocaisa approved these changes Oct 7, 2025

View reviewed changes

ocaisa 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 Oct 7, 2025

ocaisa merged commit 9b38280 into EESSI:main Oct 7, 2025
50 checks passed

bedroge deleted the a64fx_qe72 branch October 7, 2025 08:07

Provide feedback

Saved searches

Use saved searches to filter your results more quickly

Uh oh!

{2023.06}[2022b,a64fx] QuantumESPRESSO 7.2 #1218

{2023.06}[2022b,a64fx] QuantumESPRESSO 7.2 #1218

Uh oh!

bedroge commented Oct 5, 2025

Uh oh!

bedroge commented Oct 5, 2025

Uh oh!

eessi-bot-deucalion bot commented Oct 5, 2025 •

edited

Loading

Uh oh!

bedroge commented Oct 5, 2025 •

edited

Loading

Uh oh!

bedroge commented Oct 6, 2025

Uh oh!

eessi-bot-deucalion bot commented Oct 6, 2025 •

edited

Loading

Uh oh!

ocaisa left a comment

Uh oh!

ocaisa commented Oct 7, 2025

Uh oh!

Uh oh!

Reviewers

Assignees

Labels

Projects

Milestone

Development

Uh oh!

2 participants

{2023.06}[2022b,a64fx] QuantumESPRESSO 7.2 #1218

{2023.06}[2022b,a64fx] QuantumESPRESSO 7.2 #1218

Uh oh!

Conversation

bedroge commented Oct 5, 2025

Uh oh!

bedroge commented Oct 5, 2025

Uh oh!

eessi-bot-deucalion bot commented Oct 5, 2025 • edited Loading Uh oh! There was an error while loading. Please reload this page.

Uh oh!

Uh oh!

bedroge commented Oct 5, 2025 • edited Loading Uh oh! There was an error while loading. Please reload this page.

Uh oh!

Uh oh!

bedroge commented Oct 6, 2025

Uh oh!

eessi-bot-deucalion bot commented Oct 6, 2025 • edited Loading Uh oh! There was an error while loading. Please reload this page.

Uh oh!

Uh oh!

ocaisa left a comment

Choose a reason for hiding this comment

Uh oh!

ocaisa commented Oct 7, 2025

Uh oh!

Uh oh!

Reviewers

Assignees

Labels

Projects

Milestone

Development

Uh oh!

2 participants

eessi-bot-deucalion bot commented Oct 5, 2025 •

edited

Loading

bedroge commented Oct 5, 2025 •

edited

Loading

eessi-bot-deucalion bot commented Oct 6, 2025 •

edited

Loading