{2023.06} rebuild Siesta/5.2.2-foss-2023a#1535
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Siesta/5.2.2-foss-2023a
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bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/generic |
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failed on A64FX, let's try that again... bot: build repo:eessi.io-2023.06-software instance:eessi-bot-deucalion for:arch=aarch64/a64fx |
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Does 5.2.2 need a rebuild? Because their the commit of elsi-interconnect is correct. |
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A bunch of tests failed, first one ( So this is due to a lack of sufficient memory... All failing tests are @@AnthoniAlcaraz Anything we can tweak here to reduce memory requirements for these tests? |
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Strictly speaking maybe not, but the easyconfig file was changed quite a bit in: |
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Ok. Also why is that licence CI failing. Is that because it is a rebuild. This is also the case in the other Siesta pr. Is this because it is a rebuild? |
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CI is now fixed so when you merge with main it should pass |
That siesta-00.BasisSets-default_basis_mpi4_omp1 should use very little resources as it is. Note that there have been quite a number of fixes and extensions between 5.2.2 and 5.4.2. I am not sure whether it might be worth using 5.4.2 for any further deployments. |
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Just wanted to share a related observation, in case it's useful context for this rebuild. While preparing a local EasyBuild install of Root cause: The basis-generation routines use large Fortran automatic arrays (stack-allocated, sized at runtime based on basis-set parameters). With a more demanding basis like I confirmed this by re-running the exact same compiled binary with Executable : siesta
Version : 5.2.2
Architecture : x86_64
Compiler version: GNU-12.3.0
Compiler flags : -O3 -fopenmp -march=native -fno-math-errno -fallow-argument-mismatch
Parallelisations: MPI, OpenMP
* OpenMP version: 201511
NetCDF support
NetCDF-4 support
NetCDF-4 MPI-IO support
Lua support
Native ELPA support
ELSI support. Solvers:
ELPA (internal)
NTPoly
OMM
PEXSI
DFT-D3 support
Wannier90 wrapper support
Given that the comment above mentions a similar SIGSEGV on If it turns out to be the same root cause, adding |
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I checked the ulimits on Deucalion (where our A64FX build node is): Soft limit: Hard limit: @boegel I guess we can increase the The open file limit is actually also quite tight, also the hard limit. I'm a bit surprised we've never hit that before, but it's irrelevant in the context of the issue in this PR. |
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A64FX bot has been updated to set bot: build repo:eessi.io-2023.06-software instance:eessi-bot-deucalion for:arch=aarch64/a64fx |
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is that still running? |
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No the bot is likely down. Pinged the people to start it again. |
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@AnthoniAlcaraz the system is in maintenance until the 10th so we'll have to wait. |
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Perfect. We will see if Just a comment: for the siesta version 5.2.2 the commit in the easyconfig was correct, then the build in EESSI 2023.05 should be ok. The commit wasn't correct for the following versions. At the end of the day, the changes in the easyconfigs are ok and it will usefull for future easyconfigs. Doing the recursive command should consider the right GIT_TAG in each easyconfig. siesta-5.2.2/External/ELSI-project/CMakeLists.txt: GIT_TAG 512532a42c5e
siesta-5.2.2/External/ELSI-project/CMakeLists.txt: ## GIT_TAG siesta-adaptations
siesta-5.4.0/External/ELSI-project/CMakeLists.txt: GIT_TAG 7b2202fa85520a72169b50ce275ae94e695f0694
siesta-5.4.0/External/ELSI-project/CMakeLists.txt: ## GIT_TAG siesta-adaptations
siesta-5.4.1/External/ELSI-project/CMakeLists.txt: GIT_TAG bc33fce5c899acfbb0f
siesta-5.4.1/External/ELSI-project/CMakeLists.txt: ## GIT_TAG siesta-adaptations
siesta-5.4.2/External/ELSI-project/CMakeLists.txt: GIT_TAG v2.12.0
siesta-5.4.2/External/ELSI-project/CMakeLists.txt: ## GIT_TAG master |
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The commit is indeed correct but @boegel preferred a rebuild. If the issue persist though with setting |
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fixes #1519