{2023.06}[foss/2021a] ESPResSo v4.2.1 #332

maxim-masterov · 2023-09-12T08:12:41Z

Add ESPResSo for 2021a without CUDA support

eessi-bot · 2023-09-12T08:12:45Z

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

eessi-2023.06-eb-4.8.0-2021a.yml

maxim-masterov · 2023-10-02T12:35:05Z

ERROR: Failed to get data for PR #18746 from easybuilders/easybuild-easyconfigs (HTTP Error 403: rate limit exceeded)
Please check PR #, account and repo.

Where did the 18746 come from?

boegel · 2023-10-04T06:46:48Z

@maxim-masterov That comes from eessi-2023.06-eb-4.8.0-2021b.yml, and the fact that all easystack files are being processed in CI, regardless of which easystack was changed in the PR.
That's not easy to change, but we could look into using a GitHub token to make it less likely to run into rate limits.

For now, ignore the CI failures (they'll fail anyway until this module is installed), and let's trigger a test build?

It would be helpful if you first sync your PR branch here with current 2023.06, to pick up #351

…o espresso_2021a

…ayer into espresso_2021a

maxim-masterov · 2023-10-04T08:59:10Z

bot: build repo:eessi-2023.06-software arch:x86_64/generic
bot: build repo:eessi-2023.06-software arch:aarch64/neoverse_v1

eessi-bot · 2023-10-04T08:59:13Z

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 maxim-masterov
- expanded format: build repository:eessi-2023.06-software architecture:x86_64/generic
received bot command build repo:eessi-2023.06-software arch:aarch64/neoverse_v1 from maxim-masterov
- expanded format: build repository:eessi-2023.06-software architecture:aarch64/neoverse_v1
handling command build repository:eessi-2023.06-software architecture:x86_64/generic resulted in:
- submitted job 7704, for details & status see {2023.06}[foss/2021a] ESPResSo v4.2.1 #332 (comment)
handling command build repository:eessi-2023.06-software architecture:aarch64/neoverse_v1 resulted in:
- submitted job 7705, for details & status see {2023.06}[foss/2021a] ESPResSo v4.2.1 #332 (comment)

eessi-bot · 2023-10-04T08:59:20Z

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/2023.10/pr_332/7704

date	job status	comment
Oct 04 08:59:19 UTC 2023	submitted	job id `7704` awaits release by job manager
Oct 04 08:59:53 UTC 2023	released	job awaits launch by Slurm scheduler
Oct 04 09:04:01 UTC 2023	running	job `7704` is running
Oct 04 09:07:10 UTC 2023	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-7704.out` ❌ 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-x86_64-generic-1696410381.tar.gz` size: 0 MiB (211151 bytes) entries: 3 modules under 2023.06/software/linux/x86_64/generic/modules/all no module files in tarball software under 2023.06/software/linux/x86_64/generic/software no software packages in tarball other under 2023.06/software/linux/x86_64/generic `.lmod/cache/spiderT.lua` `.lmod/cache/spiderT.luac_5.1` `.lmod/cache/timestamp`

eessi-bot · 2023-10-04T08:59:28Z

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/2023.10/pr_332/7705

date	job status	comment
Oct 04 08:59:27 UTC 2023	submitted	job id `7705` awaits release by job manager
Oct 04 08:59:50 UTC 2023	released	job awaits launch by Slurm scheduler
Oct 04 09:02:57 UTC 2023	running	job `7705` is running
Oct 04 09:07:08 UTC 2023	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-7705.out` ❌ 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-neoverse_v1-1696410392.tar.gz` size: 0 MiB (210743 bytes) entries: 3 modules under 2023.06/software/linux/aarch64/neoverse_v1/modules/all no module files in tarball software under 2023.06/software/linux/aarch64/neoverse_v1/software no software packages in tarball other under 2023.06/software/linux/aarch64/neoverse_v1 `.lmod/cache/spiderT.lua` `.lmod/cache/spiderT.luac_5.1` `.lmod/cache/timestamp`

maxim-masterov · 2023-10-10T09:39:16Z

Incorporated changes in PR 18963

…o espresso_2021a

…ayer into espresso_2021a

maxim-masterov · 2023-10-11T09:38:04Z

bot: build repo:eessi-2023.06-software arch:x86_64/generic
bot: build repo:eessi-2023.06-software arch:aarch64/neoverse_v1

eessi-bot · 2023-10-11T09:38:07Z

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

received bot command build repo:eessi-2023.06-software arch:x86_64/generic from maxim-masterov
- expanded format: build repository:eessi-2023.06-software architecture:x86_64/generic
received bot command build repo:eessi-2023.06-software arch:aarch64/neoverse_v1 from maxim-masterov
- expanded format: build repository:eessi-2023.06-software architecture:aarch64/neoverse_v1
handling command build repository:eessi-2023.06-software architecture:x86_64/generic resulted in:
- no jobs were submitted
handling command build repository:eessi-2023.06-software architecture:aarch64/neoverse_v1 resulted in:
- no jobs were submitted

eessi-bot · 2023-10-11T09:38:07Z

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 maxim-masterov
- expanded format: build repository:eessi-2023.06-software architecture:x86_64/generic
received bot command build repo:eessi-2023.06-software arch:aarch64/neoverse_v1 from maxim-masterov
- expanded format: build repository:eessi-2023.06-software architecture:aarch64/neoverse_v1
handling command build repository:eessi-2023.06-software architecture:x86_64/generic resulted in:
- submitted job 8226, for details & status see {2023.06}[foss/2021a] ESPResSo v4.2.1 #332 (comment)
handling command build repository:eessi-2023.06-software architecture:aarch64/neoverse_v1 resulted in:
- submitted job 8227, for details & status see {2023.06}[foss/2021a] ESPResSo v4.2.1 #332 (comment)

eessi-bot · 2023-10-11T09:38:15Z

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/2023.10/pr_332/8226

date	job status	comment
Oct 11 09:38:14 UTC 2023	submitted	job id `8226` awaits release by job manager
Oct 11 09:38:53 UTC 2023	released	job awaits launch by Slurm scheduler
Oct 11 09:53:03 UTC 2023	running	job `8226` is running
Oct 11 10:19:07 UTC 2023	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-8226.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-generic-1697019461.tar.gz` size: 34 MiB (36166601 bytes) entries: 17154 modules under 2023.06/software/linux/x86_64/generic/modules/all `Boost.MPI/1.76.0-gompi-2021a.lua` `libsodium/1.0.18-GCCcore-10.3.0.lua` `OpenPGM/5.2.122-GCCcore-10.3.0.lua` `Pint/0.20.1-GCCcore-10.3.0.lua` `ZeroMQ/4.3.4-GCCcore-10.3.0.lua` software under 2023.06/software/linux/x86_64/generic/software `Boost.MPI/1.76.0-gompi-2021a` `libsodium/1.0.18-GCCcore-10.3.0` `OpenPGM/5.2.122-GCCcore-10.3.0` `Pint/0.20.1-GCCcore-10.3.0` `ZeroMQ/4.3.4-GCCcore-10.3.0` other under 2023.06/software/linux/x86_64/generic `.lmod/cache/spiderT.lua` `.lmod/cache/spiderT.luac_5.1` `.lmod/cache/timestamp`

eessi-bot · 2023-10-11T09:38:23Z

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/2023.10/pr_332/8227

date	job status	comment
Oct 11 09:38:22 UTC 2023	submitted	job id `8227` awaits release by job manager
Oct 11 09:38:49 UTC 2023	released	job awaits launch by Slurm scheduler
Oct 11 09:43:16 UTC 2023	running	job `8227` is running
Oct 11 10:19:05 UTC 2023	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-8227.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-neoverse_v1-1697019503.tar.gz` size: 35 MiB (36888057 bytes) entries: 17154 modules under 2023.06/software/linux/aarch64/neoverse_v1/modules/all `Boost.MPI/1.76.0-gompi-2021a.lua` `libsodium/1.0.18-GCCcore-10.3.0.lua` `OpenPGM/5.2.122-GCCcore-10.3.0.lua` `Pint/0.20.1-GCCcore-10.3.0.lua` `ZeroMQ/4.3.4-GCCcore-10.3.0.lua` software under 2023.06/software/linux/aarch64/neoverse_v1/software `Boost.MPI/1.76.0-gompi-2021a` `libsodium/1.0.18-GCCcore-10.3.0` `OpenPGM/5.2.122-GCCcore-10.3.0` `Pint/0.20.1-GCCcore-10.3.0` `ZeroMQ/4.3.4-GCCcore-10.3.0` other under 2023.06/software/linux/aarch64/neoverse_v1 `.lmod/cache/spiderT.lua` `.lmod/cache/spiderT.luac_5.1` `.lmod/cache/timestamp`

casparvl · 2023-10-23T12:58:46Z

bot: build repo:eessi-2023.06-software arch:aarch64/neoverse_v1

eessi-bot · 2023-10-23T12:58:48Z

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

received bot command build repo:eessi-2023.06-software arch:aarch64/neoverse_v1 from casparvl
- expanded format: build repository:eessi-2023.06-software architecture:aarch64/neoverse_v1
handling command build repository:eessi-2023.06-software architecture:aarch64/neoverse_v1 resulted in:
- no jobs were submitted

casparvl · 2023-10-23T13:09:28Z

bot: show_config

eessi-bot · 2023-10-23T13:09:30Z

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

received bot command show_config from casparvl
- expanded format: show_config
handling command show_config resulted in:
- added comment {2023.06}[foss/2021a] ESPResSo v4.2.1 #332 (comment) to show configuration

eessi-bot · 2023-10-23T13:09:33Z

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

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

casparvl · 2023-10-23T13:10:44Z

bot: build repo:eessi-hpc.org-2023.06-software arch:aarch64/neoverse_v1

eessi-bot · 2023-10-23T13:10:46Z

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

received bot command build repo:eessi-hpc.org-2023.06-software arch:aarch64/neoverse_v1 from casparvl
- expanded format: build repository:eessi-hpc.org-2023.06-software architecture:aarch64/neoverse_v1
handling command build repository:eessi-hpc.org-2023.06-software architecture:aarch64/neoverse_v1 resulted in:
- submitted job 341, for details & status see {2023.06}[foss/2021a] ESPResSo v4.2.1 #332 (comment)

eessi-bot · 2023-10-23T13:10:53Z

New job on instance eessi-bot-mc-aws for architecture aarch64-neoverse_v1 for repository eessi-hpc.org-2023.06-software in job dir /project/def-users/SHARED/jobs/2023.10/pr_332/341

date	job status	comment
Oct 23 13:10:51 UTC 2023	submitted	job id `341` awaits release by job manager
Oct 23 13:11:18 UTC 2023	released	job awaits launch by Slurm scheduler
Oct 23 13:15:20 UTC 2023	running	job `341` is running
Oct 23 13:34:42 UTC 2023	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-341.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-neoverse_v1-1698068037.tar.gz` size: 35 MiB (36901920 bytes) entries: 17154 modules under 2023.06/software/linux/aarch64/neoverse_v1/modules/all `Boost.MPI/1.76.0-gompi-2021a.lua` `libsodium/1.0.18-GCCcore-10.3.0.lua` `OpenPGM/5.2.122-GCCcore-10.3.0.lua` `Pint/0.20.1-GCCcore-10.3.0.lua` `ZeroMQ/4.3.4-GCCcore-10.3.0.lua` software under 2023.06/software/linux/aarch64/neoverse_v1/software `Boost.MPI/1.76.0-gompi-2021a` `libsodium/1.0.18-GCCcore-10.3.0` `OpenPGM/5.2.122-GCCcore-10.3.0` `Pint/0.20.1-GCCcore-10.3.0` `ZeroMQ/4.3.4-GCCcore-10.3.0` other under 2023.06/software/linux/aarch64/neoverse_v1 `.lmod/cache/spiderT.lua` `.lmod/cache/spiderT.luac_5.1` `.lmod/cache/timestamp`

casparvl · 2023-10-23T14:47:41Z

The build that is failing is IPython:

======================================================================
FAIL: test_aimport_module_completer (IPython.core.tests.test_completer.TestCompleter)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/cvmfs/pilot.eessi-hpc.org/versions/2023.06/software/linux/aarch64/neoverse_v1/software/IPython/7.25.0-GCCcore-10.3.0/lib/python3.9/site-packages/IPython/core/tests/test_completer.py"
, line 1057, in test_aimport_module_completer
    nt.assert_in("io", matches)
AssertionError: 'io' not found in []
-------------------- >> begin captured stdout << ---------------------

Caching the list of root modules, please wait!
(This will only be done once - type '%rehashx' to reset cache!)

This is taking too long, we give up.


--------------------- >> end captured stdout << ----------------------
    """Fail immediately, with the given message."""
>>  raise self.failureException("'io' not found in []")

-------------------- >> begin captured logging << --------------------
parso.python.diff: DEBUG: diff parser start
parso.python.diff: DEBUG: line_lengths old: 1; new: 1
parso.python.diff: DEBUG: -> code[replace] old[1:1] new[1:1]
parso.python.diff: DEBUG: parse_part from 1 to 1 (to 0 in part parser)
parso.python.diff: DEBUG: diff parser end
--------------------- >> end captured logging << ---------------------

======================================================================
FAIL: test_import_module_completer (IPython.core.tests.test_completer.TestCompleter)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/cvmfs/pilot.eessi-hpc.org/versions/2023.06/software/linux/aarch64/neoverse_v1/software/IPython/7.25.0-GCCcore-10.3.0/lib/python3.9/site-packages/IPython/core/tests/test_completer.py", line 1070, in test_import_module_completer
    nt.assert_in("io", matches)
AssertionError: 'io' not found in ['id', 'if', 'import', 'in', 'input', 'int', 'ip', 'is', 'isinstance', 'issubclass', 'iter']
-------------------- >> begin captured stdout << ---------------------

Caching the list of root modules, please wait!
(This will only be done once - type '%rehashx' to reset cache!)

This is taking too long, we give up.


--------------------- >> end captured stdout << ----------------------
    """Fail immediately, with the given message."""
>>  raise self.failureException("'io' not found in ['id', 'if', 'import', 'in', 'input', 'int', 'ip', 'is', 'isinstance', 'issubclass', 'iter']")


----------------------------------------------------------------------
Ran 640 tests in 89.278s

FAILED (SKIP=12, failures=2)
______________________________________________________________________
Test suite completed for system with the following information:
IPython version: 7.25.0
IPython commit : 63a5c09ed (installation)
IPython package: /cvmfs/pilot.eessi-hpc.org/versions/2023.06/software/linux/aarch64/neoverse_v1/software/IPython/7.25.0-GCCcore-10.3.0/lib/python3.9/site-packages/IPython
Python version : 3.9.5 (default, Jun 20 2023, 22:13:36) [GCC 10.3.0]
sys.executable : /cvmfs/pilot.eessi-hpc.org/versions/2023.06/software/linux/aarch64/neoverse_v1/software/Python/3.9.5-GCCcore-10.3.0/bin/python
Platform       : Linux-4.18.0-477.27.1.el8_8.aarch64-aarch64-with-glibc2.37

Tools and libraries available at test time:
   pygments sqlite3

Tools and libraries NOT available at test time:
   matplotlib

Status: ERROR - 1 out of 7 test groups failed (core). Took 110.717s.

You may wish to rerun these, with:
  iptest core

) (at easybuild/framework/easyblock.py:3639 in _sanity_check_step)

So, it's actually IPython that is failing to build, because of a failure in the test group core, specifically the tests test_aimport_module_completer and test_import_module_completer.

I've tried the build interactively on the neoverse_v1 architecture, but there, the IPython build completes without issue...

casparvl · 2023-10-23T14:55:53Z

Interactively, I do error out on the ESPResSo build btw...

93% tests passed, 15 tests failed out of 201

Label Time Summary:
gpu             = 2615.38 sec*proc (56 tests)
long            = 5463.20 sec*proc (13 tests)
parallel        = 1377.92 sec*proc (45 tests)
parallel_odd    =   3.92 sec*proc (1 test)

Total Test time (real) = 4275.02 sec

The following tests FAILED:
          3 - save_checkpoint__therm_lb__p3m_cpu__lj__lb_cpu_ascii (Timeout)
          4 - test_checkpoint__therm_lb__p3m_cpu__lj__lb_cpu_ascii (Failed)
         54 - interactions_non-bonded (Timeout)
         64 - rigid_bond (Timeout)
         66 - rotational_inertia (Timeout)
         76 - constant_pH_stats (Timeout)
         79 - lb_stokes_sphere (Timeout)
         93 - virtual_sites_relative (Failed)
        101 - integrator_npt_stats (Timeout)
        111 - lb_stats (Timeout)
        116 - dpd_stats (Timeout)
        145 - random_pairs (Timeout)
        151 - thermostats_anisotropic (Timeout)
        183 - galilei (Timeout)
        190 - elc_vs_analytic (Timeout)
Errors while running CTest

But we can worry about that later (if it occurs also when the bot does it).

casparvl · 2023-10-23T15:06:22Z

So, I've done a bit of reading. It fails in the Autocompleter for modules. That autocompleter has to create a cache first. It seems there is a timeout on that, controlled by this line. It might be that creation of this cache is indeed slow. Could be that it simply needs to crawl through a lot of CVMFS paths, which could be slow. Could be that going through the build dir is slow - I think the bot is building in a writeable overlay, which I believe may be a bit slow (also to read?).

We could try to increase that TIMEOUT. Or skip the test. Or ignore the test failures...

The only thing I can't really explain is why we haven't seen it with other IPython's. But... details...

bedroge · 2023-10-26T07:55:44Z

@casparvl This sounded somewhat familiar, and it seems I have run into this as well a few years ago:
#95
I also had the impression that it was caused by slow I/O (due to CVMFS and/or fuse-overlayfs?); rerunning the same installation on the same machine often solved the issue (maybe because the files were then in the CVMFS cache?).

casparvl · 2023-10-30T15:06:03Z

I reproduced this issue now also interactively, by running the container with:

./eessi_container --save <somepath> --access rw

and using the default EASYBUILD_INSTALLPATH set by configure_easybuild. Thus, we're installing in the writable overlay, and this reproduces the issue.

I'll adapt my docs in this pr so that building in the writeable overlay is explained (instead of in /tmp what we suggest now). It might be slower, but a more exact replica of what the bot does. Since the goal is to reproduce build failures, we should stick to that as close as possible.

casparvl · 2024-02-09T13:50:27Z

I'm going to close this. We have ESPResSo now in the software.eessi.io, added here. It's probably not worth it to still try to push this to the pilot repository.

{2023.06}[foss/2023b] Qt5 v5.15.13

Add ESPResso 4.2.1 with foss/2021a and without CUDA

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maxim-masterov added the pilot-2023.06 label Sep 12, 2023

boegel requested changes Sep 12, 2023

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Update eessi-2023.06-eb-4.8.0-2021a.yml

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maxim-masterov added 2 commits October 4, 2023 10:13

Merge branch '2023.06' of https://github.com/EESSI/software-layer int…

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…o espresso_2021a

Merge branch 'espresso_2021a' of github.com:maxim-masterov/software-l…

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…ayer into espresso_2021a

maxim-masterov added 4 commits October 10, 2023 11:39

Update eessi-2023.06-eb-4.8.0-2021a.yml

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Merge branch '2023.06' of https://github.com/EESSI/software-layer int…

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…o espresso_2021a

Add missing colon

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Merge branch 'espresso_2021a' of github.com:maxim-masterov/software-l…

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…ayer into espresso_2021a

casparvl mentioned this pull request Oct 30, 2023

Interactive building for debugging EESSI/docs#117

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boegel changed the base branch from 2023.06 to pilot.eessi-hpc.org-2023.06 November 21, 2023 21:18

casparvl closed this Feb 9, 2024

TopRichard pushed a commit to TopRichard/bot-software-layer1 that referenced this pull request Jun 3, 2024

Merge pull request EESSI#332 from trz42/nessi-2023.06-qt5-5.15.13-2023b

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{2023.06}[foss/2021a] ESPResSo v4.2.1 #332

{2023.06}[foss/2021a] ESPResSo v4.2.1 #332

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{2023.06}[foss/2021a] ESPResSo v4.2.1 #332

{2023.06}[foss/2021a] ESPResSo v4.2.1 #332

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