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update SUNDIALS dependency for Cantera v2.6.0 to v6.5.1 + add missing dependencies #18041

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iotaka
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@iotaka iotaka commented Jun 5, 2023

CVodes from SUNDIALS 6.3.0 was bugged, with 6.5.1 seems working fine

CanteraError thrown by CVodesIntegrator::integrate:
CVodes error encountered. Error code: -4

In https://github.com/LLNL/sundials/releases/tag/v6.5.0
was solved: Fixed an underflow bug during root finding in ARKODE, CVODE, CVODES, IDA and IDAS.

@iotaka iotaka changed the title CVodes from SUNDIALS 6.3.0 was bugged {chem}[foss/2022a] Cantera v2.6.0 w/ Python 3.10.4 Jun 5, 2023
@boegel boegel added the bug fix label Jun 5, 2023
@boegel boegel added this to the next release (4.7.3?) milestone Jun 5, 2023
@casparvl
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casparvl commented Jun 6, 2023

@boegelbot please test @ generoso

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@casparvl: Request for testing this PR well received on login1

PR test command 'EB_PR=18041 EB_ARGS= EB_CONTAINER= /opt/software/slurm/bin/sbatch --job-name test_PR_18041 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 10932

Test results coming soon (I hope)...

- notification for comment with ID 1578238404 processed

Message to humans: this is just bookkeeping information for me,
it is of no use to you (unless you think I have a bug, which I don't).

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casparvl commented Jun 6, 2023

@boegelbot please test @ jsc-zen2

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@casparvl: Request for testing this PR well received on jsczen2l1.int.jsc-zen2.easybuild-test.cluster

PR test command 'EB_PR=18041 EB_ARGS= /opt/software/slurm/bin/sbatch --mem-per-cpu=4000M --job-name test_PR_18041 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 2720

Test results coming soon (I hope)...

- notification for comment with ID 1578255396 processed

Message to humans: this is just bookkeeping information for me,
it is of no use to you (unless you think I have a bug, which I don't).

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Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
cns1 - Linux Rocky Linux 8.5, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/88726a6bfc550d9caf1265002c33f5bc for a full test report.

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casparvl commented Jun 6, 2023

Test report by @casparvl
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
tcn305.local.snellius.surf.nl - Linux Rocky Linux 8.7, x86_64, AMD EPYC 7H12 64-Core Processor, Python 3.6.8
See https://gist.github.com/casparvl/c39162e0fa7caced7760371e929fac7d for a full test report.

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Test report by @boegelbot
SUCCESS
Build succeeded for 2 out of 2 (1 easyconfigs in total)
jsczen2c1.int.jsc-zen2.easybuild-test.cluster - Linux Rocky Linux 8.5, x86_64, AMD EPYC 7742 64-Core Processor (zen2), Python 3.6.8
See https://gist.github.com/boegelbot/6e40bfd27a5ec711e4216eb5a5a86b65 for a full test report.

@casparvl
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casparvl commented Jun 6, 2023

@boegelbot please test @ generoso

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@casparvl: Request for testing this PR well received on login1

PR test command 'EB_PR=18041 EB_ARGS= EB_CONTAINER= /opt/software/slurm/bin/sbatch --job-name test_PR_18041 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 10945

Test results coming soon (I hope)...

- notification for comment with ID 1578967396 processed

Message to humans: this is just bookkeeping information for me,
it is of no use to you (unless you think I have a bug, which I don't).

@casparvl
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casparvl commented Jun 6, 2023

Test report by @casparvl
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
tcn331.local.snellius.surf.nl - Linux Rocky Linux 8.7, x86_64, AMD EPYC 7H12 64-Core Processor, Python 3.6.8
See https://gist.github.com/casparvl/157f344e192fef204dee7698e1c02a93 for a full test report.

@boegelbot
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Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
cns1 - Linux Rocky Linux 8.5, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/9a07ac2d7524a6bbbdb291cdc89a6b6c for a full test report.

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Lgtm!

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casparvl commented Jun 6, 2023

Going in, thanks @iotaka!

@casparvl casparvl merged commit 6eee8c1 into easybuilders:develop Jun 6, 2023
@boegel boegel changed the title {chem}[foss/2022a] Cantera v2.6.0 w/ Python 3.10.4 update SUNDIALS dependency for Cantera v2.6.0 to v6.5.1 + add missing dependencies Jun 7, 2023
@boegel boegel added the change label Jun 7, 2023
@easybuilders easybuilders deleted a comment from boegelbot Jun 7, 2023
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4 participants