Limit QuantumESPRESSO builds on A64FX to max 6 cores

[bedroge]

And undo the limit for CP2K (introduced in #104), I don't think that was required and it didn't solve the issue in EESSI/software-layer#1220 (comment). Newer QE versions removed the maxparallel=1, and it looks like this makes it run out of memory.

To be sure, I'll add an easystack here that builds both QE and CP2K, just to confirm that both build without issues now.

[bedroge]

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

[eessi-bot-deucalion]

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_106/581452

date	job status	comment
Oct 09 13:55:22 UTC 2025	submitted	job id 581452 awaits release by job manager
Oct 09 13:55:28 UTC 2025	released	job awaits launch by Slurm scheduler
Oct 09 13:56:34 UTC 2025	running	job 581452 is running
Oct 09 14:05:13 UTC 2025	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-581452.out ✅ no message matching FATAL: ❌ found message matching ERROR: ✅ no message matching FAILED: ✅ no 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-17600183290.tar.gz size: 0 MiB (21567 bytes) entries: 1 modules under 2023.06/software/linux/aarch64/a64fx/modules/all no module files in tarball software under 2023.06/software/linux/aarch64/a64fx/software no software packages in tarball reprod directories under 2023.06/software/linux/aarch64/a64fx/reprod no reprod directories in tarball other under 2023.06/software/linux/aarch64/a64fx 2023.06/init/easybuild/eb_hooks.py
Oct 09 14:05:13 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: 582.844 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: 583.466 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: 1.64 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: 8496.74 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: 7820.35 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-581452.out ❌ found message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[bedroge]

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

[eessi-bot-deucalion]

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_106/581603

date	job status	comment
Oct 09 15:22:02 UTC 2025	submitted	job id 581603 awaits release by job manager
Oct 09 15:22:17 UTC 2025	released	job awaits launch by Slurm scheduler
Oct 09 15:23:23 UTC 2025	running	job 581603 is running

[bedroge]

Job is still running, but the QE build just completed. The max memory usage reported by Slurm is only 1953600K, so I don't understand why it didn't work with the default settings (which should be 12 cores instead of 6?).