{2023.06}[foss/2023a] CP2K 2023.1 #630

laraPPr · 2024-07-01T13:03:57Z

No description provided.

eessi-bot · 2024-07-01T13:04:01Z

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.io-2023.06-compat, eessi-hpc.org-2023.06-software, eessi-hpc.org-2023.06-compat, eessi.io-2023.06-software

eessi-build-deploy-bot-deucalion · 2024-07-01T13:04:01Z

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

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

eessi-bot · 2024-07-01T13:04:02Z

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

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

laraPPr · 2024-07-01T13:08:52Z

bot: build repo:eessi.io-2023.06-software arch:x86_64/generic
bot: build repo:eessi.io-2023.06-software arch:aarch64/generic

eessi-bot · 2024-07-01T13:08:55Z

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

received bot command build repo:eessi.io-2023.06-software arch:x86_64/generic from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/generic
received bot command build repo:eessi.io-2023.06-software arch:aarch64/generic from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/generic
handling command build repository:eessi.io-2023.06-software architecture:x86_64/generic resulted in:
- submitted job 13658, for details & status see {2023.06}[foss/2023a] CP2K 2023.1 #630 (comment)
handling command build repository:eessi.io-2023.06-software architecture:aarch64/generic resulted in:
- submitted job 13659, for details & status see {2023.06}[foss/2023a] CP2K 2023.1 #630 (comment)

eessi-build-deploy-bot-deucalion · 2024-07-01T13:08:55Z

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eessi-bot · 2024-07-01T13:08:55Z

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eessi-bot · 2024-07-01T13:08:59Z

New job on instance eessi-bot-mc-aws for architecture x86_64-generic for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.07/pr_630/13658

date	job status	comment
Jul 01 13:08:58 UTC 2024	submitted	job id `13658` awaits release by job manager
Jul 01 13:09:26 UTC 2024	released	job awaits launch by Slurm scheduler
Jul 01 13:15:37 UTC 2024	running	job `13658` is running
Jul 01 18:25:54 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-13658.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-1719857418.tar.gz` size: 681 MiB (714148541 bytes) entries: 29526 modules under 2023.06/software/linux/x86_64/generic/modules/all `CP2K/2023.1-foss-2023a.lua` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k.lua` `libvori/220621-GCCcore-12.3.0.lua` `libxsmm/1.17-GCC-12.3.0.lua` software under 2023.06/software/linux/x86_64/generic/software `CP2K/2023.1-foss-2023a` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k` `libvori/220621-GCCcore-12.3.0` `libxsmm/1.17-GCC-12.3.0` other under 2023.06/software/linux/x86_64/generic no other files in tarball
Jul 01 18:25:54 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 14/14 test case(s) from 14 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-13658.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

eessi-bot · 2024-07-01T13:09:03Z

New job on instance eessi-bot-mc-aws for architecture aarch64-generic for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.07/pr_630/13659

date	job status	comment
Jul 01 13:09:02 UTC 2024	submitted	job id `13659` awaits release by job manager
Jul 01 13:09:24 UTC 2024	released	job awaits launch by Slurm scheduler
Jul 01 13:14:33 UTC 2024	running	job `13659` is running
Jul 01 14:39:19 UTC 2024	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-13659.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-aarch64-generic-1719843206.tar.gz` size: 70 MiB (73644954 bytes) entries: 179 modules under 2023.06/software/linux/aarch64/generic/modules/all `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k.lua` software under 2023.06/software/linux/aarch64/generic/software `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k` other under 2023.06/software/linux/aarch64/generic no other files in tarball
Jul 01 14:39:19 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 14/14 test case(s) from 14 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-13659.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

laraPPr · 2024-07-02T07:21:57Z

log of aarch64/generic:

================================================================================

LIBXSMM release-1.17 ([email protected])

--------------------------------------------------------------------------------

GNU Compiler Collection: gcc 12.3.0, g++ 12.3.0, and gfortran 12.3.0

C / C++ target: <compiler default>

Fortran target: <compiler default>

--------------------------------------------------------------------------------

Environment: CC CXX FC

--------------------------------------------------------------------------------

--- LIBXSMM build log

gcc  -DNDEBUG -D__STATIC=1 -DLIBXSMM_BUILD=2 -Iinclude -I./src -Iobj  -fPIC -Wall -O2 -fdata-sections -ffunction-sections -fvisibility=hidden -pthread  -c ./src/libxsmm_main.c -o  obj/intel64/libxsmm_main.o

In file included from ./src/libxsmm_trace.h:14,

                 from ./src/libxsmm_main.c:11:

include/libxsmm_macros.h:61:5: error: #error Intel Architecture or compatible CPU required!

   61 | #   error Intel Architecture or compatible CPU required!

      |     ^~~~~

./src/libxsmm_main.c: In function internal_init:

./src/libxsmm_main.c:866:3: warning: pthread_yield is deprecated: pthread_yield is deprecated, use sched_yield instead [-Wdeprecated-declarations]

  866 |   LIBXSMM_LOCK_ACQUIRE(LIBXSMM_LOCK, &libxsmm_lock_global);

      |   ^~~~~~~~~~~~~~~~~~~~

In file included from /cvmfs/software.eessi.io/versions/2023.06/compat/linux/aarch64/usr/include/features.h:491,

                 from /cvmfs/software.eessi.io/versions/2023.06/compat/linux/aarch64/usr/include/pthread.h:21,

                 from include/libxsmm_macros.h:815:

/cvmfs/software.eessi.io/versions/2023.06/compat/linux/aarch64/usr/include/pthread.h:479:12: note: declared here

  479 | extern int __REDIRECT_NTH (pthread_yield, (void), sched_yield)

      |            ^~~~~~~~~~~~~~

./src/libxsmm_main.c: In function libxsmm_init:

./src/libxsmm_main.c:1224:7: warning: pthread_yield is deprecated: pthread_yield is deprecated, use sched_yield instead [-Wdeprecated-declarations]

 1224 |       while (2 > LIBXSMM_ATOMIC_LOAD(&libxsmm_ninit, LIBXSMM_ATOMIC_RELAXED)) LIBXSMM_SYNC_YIELD;

      |       ^~~~~

/cvmfs/software.eessi.io/versions/2023.06/compat/linux/aarch64/usr/include/pthread.h:479:12: note: declared here

  479 | extern int __REDIRECT_NTH (pthread_yield, (void), sched_yield)

      |            ^~~~~~~~~~~~~~

./src/libxsmm_main.c: In function libxsmm_finalize:

./src/libxsmm_main.c:1241:5: warning: pthread_yield is deprecated: pthread_yield is deprecated, use sched_yield instead [-Wdeprecated-declarations]

 1241 |     LIBXSMM_LOCK_ACQUIRE(LIBXSMM_LOCK, &libxsmm_lock_global);

      |     ^~~~~~~~~~~~~~~~~~~~

/cvmfs/software.eessi.io/versions/2023.06/compat/linux/aarch64/usr/include/pthread.h:479:12: note: declared here

  479 | extern int __REDIRECT_NTH (pthread_yield, (void), sched_yield)

      |            ^~~~~~~~~~~~~~

make: [Makefile:794: obj/intel64/libxsmm_main.o] Error 1 (ignored)

make: *** [Makefile:795: obj/intel64/libxsmm_main.o] Error 1

laraPPr · 2024-07-02T07:25:00Z

Also found this which shows that this is an expected error for ARM https://www.cp2k.org/dev:compiler_support

bedroge · 2024-07-02T07:53:10Z

The error seems related to libxsmm, see https://github.com/libxsmm/libxsmm/blob/1.17/include/libxsmm_macros.h#L61.

The main branch does seem to support Arm: https://github.com/libxsmm/libxsmm/blob/main/include/libxsmm_macros.h.

Version 1.17 is 3 years old, but they haven't released a new version...

edit: they're working on a 2.0 version, see libxsmm/libxsmm#855 (comment). Maybe we should use a commit from the main branch for now? Spack does that as well, see https://github.com/spack/spack/blob/develop/var/spack/repos/builtin/packages/libxsmm/package.py#L25.

laraPPr · 2024-07-02T07:58:18Z

Had a quick look at the easyblock and it looks like libxsmm can be removed from the depedencies on ARM for CP2K and than the -D__LIBXSMM flag is not set. SO I can try that as well. Since the CP2K documentation says itself that libxsmm and ELPA are not supported for GCC 12.2.0 and GCC 12.3.0 on ARM

laraPPr · 2024-07-02T10:32:28Z

bot: build repo:eessi.io-2023.06-software arch:aarch64/generic

eessi-bot · 2024-07-02T10:32:31Z

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

received bot command build repo:eessi.io-2023.06-software arch:aarch64/generic from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/generic
handling command build repository:eessi.io-2023.06-software architecture:aarch64/generic resulted in:
- submitted job 13708, for details & status see {2023.06}[foss/2023a] CP2K 2023.1 #630 (comment)

eessi-bot · 2024-07-02T10:32:31Z

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eessi-build-deploy-bot-deucalion · 2024-07-02T10:32:32Z

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eessi-build-deploy-bot-deucalion · 2024-07-02T10:32:32Z

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eessi-build-deploy-bot-deucalion · 2024-07-02T10:32:32Z

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eessi-build-deploy-bot-deucalion · 2024-07-02T10:32:32Z

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eessi-build-deploy-bot-deucalion · 2024-07-02T10:32:33Z

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eessi-build-deploy-bot-deucalion · 2024-07-02T10:32:33Z

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eessi-build-deploy-bot-deucalion · 2024-07-02T10:32:33Z

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eessi-bot · 2024-07-02T10:32:35Z

New job on instance eessi-bot-mc-aws for architecture aarch64-generic for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.07/pr_630/13708

date	job status	comment
Jul 02 10:32:34 UTC 2024	submitted	job id `13708` awaits release by job manager
Jul 02 10:33:10 UTC 2024	released	job awaits launch by Slurm scheduler
Jul 02 10:38:13 UTC 2024	running	job `13708` is running
Jul 02 15:03:50 UTC 2024	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-13708.out` ❌ found message matching `ERROR:` ✅ no 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-generic-1719930952.tar.gz` size: 671 MiB (704203882 bytes) entries: 29179 modules under 2023.06/software/linux/aarch64/generic/modules/all `CP2K/2023.1-foss-2023a.lua` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k.lua` `libvori/220621-GCCcore-12.3.0.lua` software under 2023.06/software/linux/aarch64/generic/software `CP2K/2023.1-foss-2023a` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k` `libvori/220621-GCCcore-12.3.0` other under 2023.06/software/linux/aarch64/generic no other files in tarball
Jul 02 15:03:50 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 14/14 test case(s) from 14 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-13708.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

laraPPr · 2024-07-02T15:20:40Z

@bedroge @casparvl @boegel Do any of you have access to the logs of the bot to see what went wrong with #630 (comment). Because is seems like the build of CP2K on Aarch64 succeeded (there is also no log for this job on the shared folder in the magic castle cluster). But now I'm wondering what did go wrong. And why did this not happen in #472 where I had done the exact same thing as I now did for CP2K.

bedroge · 2024-07-02T19:04:12Z

@bedroge @casparvl @boegel Do any of you have access to the logs of the bot to see what went wrong with #630 (comment). Because is seems like the build of CP2K on Aarch64 succeeded (there is also no log for this job on the shared folder in the magic castle cluster). But now I'm wondering what did go wrong. And why did this not happen in #472 where I had done the exact same thing as I now did for CP2K.

@laraPPr I checked the log and the build actually completed successfully. However, the missing installation check at the end of the installation script is still complaining that libxsmm is missing. Perhaps we need a similar hook as the one you've added for LAMMPS here https://github.com/EESSI/software-layer/pull/472/files#diff-03a1681f29b92037b3b19f52498d8a045fb14dcdebbaaadee3ffaaaa2dcd2ea7?

laraPPr · 2024-07-03T09:53:53Z

The check missing installations was only added 4 months ago (See https://github.com/EESSI/software-layer/blame/a581720b38efbe3302154c82a570d0e8f26d2ad6/EESSI-install-software.sh#L292). That's why it did not show up for lammps yet I'll add the hook

eessi-bot · 2024-07-07T15:53:22Z

New job on instance eessi-bot-mc-aws for architecture x86_64-intel-skylake_avx512 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.07/pr_630/14047

date	job status	comment
Jul 07 15:53:21 UTC 2024	submitted	job id `14047` awaits release by job manager
Jul 07 15:53:41 UTC 2024	released	job awaits launch by Slurm scheduler
Jul 07 15:59:51 UTC 2024	running	job `14047` is running
Jul 07 20:49:11 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-14047.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_avx512-1720384504.tar.gz` size: 680 MiB (713551988 bytes) entries: 29540 modules under 2023.06/software/linux/x86_64/intel/skylake_avx512/modules/all `CP2K/2023.1-foss-2023a.lua` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k.lua` `libvori/220621-GCCcore-12.3.0.lua` `libxsmm/1.17-GCC-12.3.0.lua` software under 2023.06/software/linux/x86_64/intel/skylake_avx512/software `CP2K/2023.1-foss-2023a` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k` `libvori/220621-GCCcore-12.3.0` `libxsmm/1.17-GCC-12.3.0` other under 2023.06/software/linux/x86_64/intel/skylake_avx512 `2023.06/init/easybuild/eb_hooks.py`
Jul 07 20:49:11 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 14/14 test case(s) from 14 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-14047.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Jul 19 14:14:52 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-intel-skylake_avx512-1720384504.tar.gz` to S3 bucket succeeded

boegel · 2024-07-07T19:59:21Z

Ah it failed to create an artefact for all of them I'll kick some of again and see if it is resolved. but is a little strange

Probably fallout due to the bugs being fixed in #635 and #636, should be OK now

laraPPr · 2024-07-07T21:24:46Z

bot: build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2
bot: build repo:eessi.io-2023.06-software arch:x86_64/amd/zen3
bot: build repo:eessi.io-2023.06-software arch:aarch64/generic
bot: build repo:eessi.io-2023.06-software arch:aarch64/neoverse_n1
bot: build repo:eessi.io-2023.06-software arch:aarch64/neoverse_v1

eessi-bot · 2024-07-07T21:24:50Z

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

received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2
received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen3 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3
received bot command build repo:eessi.io-2023.06-software arch:aarch64/generic from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/generic
received bot command build repo:eessi.io-2023.06-software arch:aarch64/neoverse_n1 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1
received bot command build repo:eessi.io-2023.06-software arch:aarch64/neoverse_v1 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 resulted in:
- submitted job 14048, for details & status see {2023.06}[foss/2023a] CP2K 2023.1 #630 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 resulted in:
- submitted job 14049, for details & status see {2023.06}[foss/2023a] CP2K 2023.1 #630 (comment)
handling command build repository:eessi.io-2023.06-software architecture:aarch64/generic resulted in:
- submitted job 14050, for details & status see {2023.06}[foss/2023a] CP2K 2023.1 #630 (comment)
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1 resulted in:
- submitted job 14051, for details & status see {2023.06}[foss/2023a] CP2K 2023.1 #630 (comment)
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1 resulted in:
- submitted job 14052, for details & status see {2023.06}[foss/2023a] CP2K 2023.1 #630 (comment)

eessi-bot · 2024-07-07T21:24:50Z

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

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eessi-bot · 2024-07-07T21:24:53Z

New job on instance eessi-bot-mc-aws for architecture x86_64-amd-zen2 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.07/pr_630/14048

date	job status	comment
Jul 07 21:24:53 UTC 2024	submitted	job id `14048` awaits release by job manager
Jul 07 21:25:49 UTC 2024	released	job awaits launch by Slurm scheduler
Jul 07 21:32:13 UTC 2024	running	job `14048` is running
Jul 08 02:53:06 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-14048.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-zen2-1720406237.tar.gz` size: 681 MiB (714445241 bytes) entries: 29532 modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all `CP2K/2023.1-foss-2023a.lua` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k.lua` `libvori/220621-GCCcore-12.3.0.lua` `libxsmm/1.17-GCC-12.3.0.lua` software under 2023.06/software/linux/x86_64/amd/zen2/software `CP2K/2023.1-foss-2023a` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k` `libvori/220621-GCCcore-12.3.0` `libxsmm/1.17-GCC-12.3.0` other under 2023.06/software/linux/x86_64/amd/zen2 `2023.06/init/easybuild/eb_hooks.py`
Jul 08 02:53:06 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 14/14 test case(s) from 14 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-14048.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Jul 19 14:15:19 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-amd-zen2-1720406237.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-07-07T21:24:57Z

New job on instance eessi-bot-mc-aws for architecture x86_64-amd-zen3 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.07/pr_630/14049

date	job status	comment
Jul 07 21:24:56 UTC 2024	submitted	job id `14049` awaits release by job manager
Jul 07 21:25:52 UTC 2024	released	job awaits launch by Slurm scheduler
Jul 07 21:33:23 UTC 2024	running	job `14049` is running
Jul 08 01:57:11 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-14049.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-zen3-1720403064.tar.gz` size: 681 MiB (714254216 bytes) entries: 29533 modules under 2023.06/software/linux/x86_64/amd/zen3/modules/all `CP2K/2023.1-foss-2023a.lua` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k.lua` `libvori/220621-GCCcore-12.3.0.lua` `libxsmm/1.17-GCC-12.3.0.lua` software under 2023.06/software/linux/x86_64/amd/zen3/software `CP2K/2023.1-foss-2023a` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k` `libvori/220621-GCCcore-12.3.0` `libxsmm/1.17-GCC-12.3.0` other under 2023.06/software/linux/x86_64/amd/zen3 `2023.06/init/easybuild/eb_hooks.py`
Jul 08 01:57:11 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 14/14 test case(s) from 14 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-14049.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Jul 19 14:15:47 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-amd-zen3-1720403064.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-07-07T21:25:01Z

New job on instance eessi-bot-mc-aws for architecture aarch64-generic for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.07/pr_630/14050

date	job status	comment
Jul 07 21:25:00 UTC 2024	submitted	job id `14050` awaits release by job manager
Jul 07 21:25:40 UTC 2024	released	job awaits launch by Slurm scheduler
Jul 07 21:29:55 UTC 2024	running	job `14050` is running
Jul 08 01:59:19 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-14050.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-1720402240.tar.gz` size: 671 MiB (704303577 bytes) entries: 29178 modules under 2023.06/software/linux/aarch64/generic/modules/all `CP2K/2023.1-foss-2023a.lua` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k.lua` `libvori/220621-GCCcore-12.3.0.lua` software under 2023.06/software/linux/aarch64/generic/software `CP2K/2023.1-foss-2023a` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k` `libvori/220621-GCCcore-12.3.0` other under 2023.06/software/linux/aarch64/generic `2023.06/init/easybuild/eb_hooks.py`
Jul 08 01:59:19 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 14/14 test case(s) from 14 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-14050.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Jul 19 14:13:09 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-aarch64-generic-1720402240.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-07-07T21:25:04Z

New job on instance eessi-bot-mc-aws for architecture aarch64-neoverse_n1 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.07/pr_630/14051

date	job status	comment
Jul 07 21:25:04 UTC 2024	submitted	job id `14051` awaits release by job manager
Jul 07 21:25:43 UTC 2024	released	job awaits launch by Slurm scheduler
Jul 07 21:31:00 UTC 2024	running	job `14051` is running
Jul 08 01:54:59 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-14051.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_n1-1720401977.tar.gz` size: 671 MiB (703686535 bytes) entries: 29186 modules under 2023.06/software/linux/aarch64/neoverse_n1/modules/all `CP2K/2023.1-foss-2023a.lua` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k.lua` `libvori/220621-GCCcore-12.3.0.lua` software under 2023.06/software/linux/aarch64/neoverse_n1/software `CP2K/2023.1-foss-2023a` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k` `libvori/220621-GCCcore-12.3.0` other under 2023.06/software/linux/aarch64/neoverse_n1 `2023.06/init/easybuild/eb_hooks.py`
Jul 08 01:54:59 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 14/14 test case(s) from 14 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-14051.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Jul 19 14:13:34 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-aarch64-neoverse_n1-1720401977.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-07-07T21:25:08Z

New job on instance eessi-bot-mc-aws for architecture aarch64-neoverse_v1 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.07/pr_630/14052

date	job status	comment
Jul 07 21:25:07 UTC 2024	submitted	job id `14052` awaits release by job manager
Jul 07 21:25:46 UTC 2024	released	job awaits launch by Slurm scheduler
Jul 07 21:31:04 UTC 2024	running	job `14052` is running
Jul 08 01:00:28 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-14052.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_v1-1720399229.tar.gz` size: 673 MiB (706063398 bytes) entries: 29190 modules under 2023.06/software/linux/aarch64/neoverse_v1/modules/all `CP2K/2023.1-foss-2023a.lua` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k.lua` `libvori/220621-GCCcore-12.3.0.lua` software under 2023.06/software/linux/aarch64/neoverse_v1/software `CP2K/2023.1-foss-2023a` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k` `libvori/220621-GCCcore-12.3.0` other under 2023.06/software/linux/aarch64/neoverse_v1 `2023.06/init/easybuild/eb_hooks.py`
Jul 08 01:00:28 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 14/14 test case(s) from 14 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-14052.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Jul 19 14:13:59 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-aarch64-neoverse_v1-1720399229.tar.gz` to S3 bucket succeeded

laraPPr · 2024-07-07T21:25:38Z

Could the fact that no artefact was created have something to do with this, #630 (comment)?

easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-4.9.2-2023a.yml

…23a.yml Co-authored-by: Bob Dröge <[email protected]>

ocaisa · 2024-07-19T07:30:05Z

bot: build repo:eessi.io-2023.06-software arch:x86_64/amd/zen4

eessi-bot · 2024-07-19T07:30:08Z

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

received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen4 from ocaisa
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen4
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen4 resulted in:
- no jobs were submitted

eessi-bot · 2024-07-19T07:30:08Z

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

received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen4 from ocaisa
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen4
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen4 resulted in:
- submitted job 151, for details & status see {2023.06}[foss/2023a] CP2K 2023.1 #630 (comment)

eessi-bot · 2024-07-19T07:30:12Z

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/2024.07/pr_630/151

date	job status	comment
Jul 19 07:30:11 UTC 2024	submitted	job id `151` awaits release by job manager
Jul 19 07:30:38 UTC 2024	released	job awaits launch by Slurm scheduler
Jul 19 07:34:43 UTC 2024	running	job `151` is running
Jul 19 13:50:25 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-151.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-zen4-1721396755.tar.gz` size: 817 MiB (856957621 bytes) entries: 29645 modules under 2023.06/software/linux/x86_64/amd/zen4/modules/all `CP2K/2023.1-foss-2023a.lua` `GMP/6.2.1-GCCcore-12.3.0.lua` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k.lua` `libvori/220621-GCCcore-12.3.0.lua` `libxc/6.2.2-GCC-12.3.0.lua` `libxsmm/1.17-GCC-12.3.0.lua` software under 2023.06/software/linux/x86_64/amd/zen4/software `CP2K/2023.1-foss-2023a` `GMP/6.2.1-GCCcore-12.3.0` `Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k` `libvori/220621-GCCcore-12.3.0` `libxc/6.2.2-GCC-12.3.0` `libxsmm/1.17-GCC-12.3.0` other under 2023.06/software/linux/x86_64/amd/zen4 `2023.06/init/easybuild/eb_hooks.py`
Jul 19 13:50:25 UTC 2024	test result	😢 FAILURE (click triangle for details) Reason EESSI test suite was not run, test step itself failed to execute. Details ✅ job output file `slurm-151.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Jul 19 14:12:47 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-amd-zen4-1721396755.tar.gz` to S3 bucket succeeded

ocaisa · 2024-07-19T07:30:26Z

I'm trying a zen4 build as well

bedroge · 2024-07-19T14:38:40Z

Almost every tarball seems to include a different number of files. Except for the x86_64 vs aarch64 difference w.r.t. libxsmm, I don't see any obvious differences/causes, so I'm just going to assume this is normal...

{2023.06}[foss/2023a] CP2K 2023.1

9f841a2

add from-pr 20951 for ARM support

ba8de24

laraPPr mentioned this pull request Jul 2, 2024

only use libxsmm as dependency for CP2K 2023.1 w/ foss/2023a on x86_64 easybuilders/easybuild-easyconfigs#20951

Merged

laraPPr added ready-to-deploy Mark a PR as ready to deploy 2023.06-software.eessi.io 2023.06 version of software.eessi.io labels Jul 8, 2024

ocaisa added 2 commits July 18, 2024 18:01

Merge branch '2023.06-software.eessi.io' into Add_CP2K

ec66f72

Update eessi-2023.06-eb-4.9.2-2023a.yml

8b350fd

bedroge reviewed Jul 19, 2024

View reviewed changes

easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-4.9.2-2023a.yml Outdated Show resolved Hide resolved

Update easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-4.9.2-20…

c0bec39

…23a.yml Co-authored-by: Bob Dröge <[email protected]>

Merge branch '2023.06-software.eessi.io' into Add_CP2K

33d0374

bedroge approved these changes Jul 19, 2024

View reviewed changes

bedroge 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 Jul 19, 2024

bedroge merged commit 9ec0cad into EESSI:2023.06-software.eessi.io Jul 19, 2024

laraPPr mentioned this pull request Sep 19, 2024

{2023.06}[foss/2023b] LAMMPS 29Aug2024 #725

Merged

laraPPr deleted the Add_CP2K branch June 4, 2025 10:02

{2023.06}[foss/2023a] CP2K 2023.1 #630

{2023.06}[foss/2023a] CP2K 2023.1 #630

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