{chem}[foss/2021a,foss/2021b] LAMMPS v23Jun2022 w/ Python 3.9.5 + 3.9.6 and CUDA #15900

ocaisa · 2022-07-22T15:01:33Z

(created using eb --new-pr)

Requires {chem}[foss/2021b] LAMMPS v23Jun2022, Voro++ v0.4.6 w/ Python 3.9.6 #15877

…, LAMMPS-23Jun2022-foss-2021b-kokkos-CUDA-11.4.1.eb

ocaisa · 2022-07-22T15:10:35Z

In #14815 a patch was introduced to LAMMPS to force GPU-aware MPI use. However, with my testing of the new approach to CUDA in OpenMPI (#15528) this patch is no longer necessary.

If we do need a patch, I think the right approach is in lammps/lammps#3140 (comment)

…asyconfigs into 20220722150129_new_pr_LAMMPS23Jun2022

ocaisa · 2022-07-22T15:23:25Z

@boegelbot please test @ generoso EB_ARGS="--cuda-compute-capabilities=8.0"

boegelbot · 2022-07-22T15:25:08Z

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

PR test command 'EB_PR=15900 EB_ARGS="--cuda-compute-capabilities=8.0" /opt/software/slurm/bin/sbatch --job-name test_PR_15900 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 8895

Test results coming soon (I hope)...

- notification for comment with ID 1192685038 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).

ocaisa · 2022-07-22T15:53:22Z

Seems like the test suite is broken for SYSTEM toolchain: https://github.com/easybuilders/easybuild-easyconfigs/blob/develop/test/easyconfigs/easyconfigs.py#L1421

boegelbot · 2022-07-22T16:32:39Z

Test report by @boegelbot
FAILED
Build succeeded for 0 out of 2 (2 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/2134ddf31fc7a514e5ee5631620e9598 for a full test report.

ocaisa · 2022-07-25T10:21:41Z

@boegelbot please test @ jsc-zen2-v100

boegelbot · 2022-07-25T10:22:07Z

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

PR test command 'EB_PR=15900 EB_ARGS= /opt/software/slurm/bin/sbatch --job-name test_PR_15900 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

exit code: 0
output:

Submitted batch job 1407

Test results coming soon (I hope)...

- notification for comment with ID 1193859242 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).

ocaisa · 2022-07-25T11:13:53Z

Test report by @ocaisa
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#2213
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in total)
gpunode1.int.eessi-gpu.learnhpc.eu - Linux Rocky Linux 8.5 (Green Obsidian), x86_64, AMD EPYC 7742 64-Core Processor (zen2), 1 x NVIDIA GRID V100-4C, 460.73.01, Python 3.9.9
See https://gist.github.com/3ff1aa7a72c3dbb183486a9225de156f for a full test report.

EDIT
This failure is due to EESSI filtering out LD_LIBRARYPATH, I've tried to make detection more robust in easybuilders/easybuild-easyblocks#2765

boegelbot · 2022-07-25T11:19:02Z

Test report by @boegelbot
FAILED
Build succeeded for 1 out of 3 (2 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/668963347025fa98a485f966ac3dba21 for a full test report.

EDIT
These failures are only because the builds were run on a node without GPUs, which causes the sanity checks to fail. The builds themselves were successful

ocaisa · 2022-07-25T12:39:07Z

Test report by @ocaisa
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#2765
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
gpunode1.int.eessi-gpu.learnhpc.eu - Linux Rocky Linux 8.5 (Green Obsidian), x86_64, AMD EPYC 7742 64-Core Processor (zen2), 1 x NVIDIA GRID V100-4C, 460.73.01, Python 3.9.9
See https://gist.github.com/0a1f3682ccce13abeb5ae8dde3823a31 for a full test report.

branfosj · 2022-07-26T03:39:07Z

Test report by @branfosj
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#2765
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
bear-pg0103u11a.bear.cluster - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Gold 6330 CPU @ 2.00GHz (icelake), 1 x NVIDIA NVIDIA A100-PCIE-40GB, 470.57.02, Python 3.6.8
See https://gist.github.com/ff3f873178d9ed33b3c05d27a4573c51 for a full test report.

SebastianAchilles · 2022-07-26T20:02:52Z

@boegelbot please test @ jsc-zen2
EB_ARGS="--include-easyblocks-from-pr=2765"

boegelbot · 2022-07-26T20:07:07Z

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

PR test command 'EB_PR=15900 EB_ARGS="--include-easyblocks-from-pr=2765" /opt/software/slurm/bin/sbatch --job-name test_PR_15900 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

exit code: 0
output:

Submitted batch job 1408

Test results coming soon (I hope)...

- notification for comment with ID 1195923289 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).

SebastianAchilles · 2022-07-26T20:38:45Z

Test report by @SebastianAchilles
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#2765
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
bdw-opensuse-154 - Linux openSUSE Leap 15.4, x86_64, Intel(R) Core(TM) i7-6900K CPU @ 3.20GHz (broadwell), 2 x NVIDIA NVIDIA GeForce GTX 1060 6GB, 510.73.08, Python 3.6.15
See https://gist.github.com/5ee4874416123169c2720d77257f899f for a full test report.

boegelbot · 2022-07-26T21:04:56Z

Test report by @boegelbot
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#2765
SUCCESS
Build succeeded for 2 out of 2 (2 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/3ad9143f2a611ab3065b78a9cf59fac5 for a full test report.

SebastianAchilles

lgtm

Can be merged once easybuilders/easybuild-easyblocks#2765 is merged.

SebastianAchilles · 2022-08-08T15:06:17Z

Test report by @SebastianAchilles
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#2765
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
bdw-opensuse-154 - Linux openSUSE Leap 15.4, x86_64, Intel(R) Core(TM) i7-6900K CPU @ 3.20GHz (broadwell), 2 x NVIDIA NVIDIA GeForce GTX 1060 6GB, 510.85.02, Python 3.6.15
See https://gist.github.com/81b3672c806e072e5f13021f73f1ed35 for a full test report.

test/easyconfigs/easyconfigs.py

boegel · 2022-08-29T13:43:33Z

Test report by @boegel
SUCCESS
Build succeeded for 3 out of 3 (2 easyconfigs in total)
node3127.skitty.os - Linux RHEL 8.4, x86_64, Intel(R) Xeon(R) Gold 6140 CPU @ 2.30GHz (skylake_avx512), Python 3.6.8
See https://gist.github.com/40ff2db9461f0749678f1ed32d541031 for a full test report.

boegel

lgtm

boegel · 2022-08-29T18:25:45Z

Going in, thanks @ocaisa!

adding easyconfigs: LAMMPS-23Jun2022-foss-2021a-kokkos-CUDA-11.3.1.eb…

44b5888

…, LAMMPS-23Jun2022-foss-2021b-kokkos-CUDA-11.4.1.eb

ocaisa added the update label Jul 22, 2022

ocaisa changed the title ~~{chem}[foss/2021a,foss/2021b] LAMMPS v23Jun2022 w/ Python 3.9.5 + 3.9.6~~ {chem}[foss/2021a,foss/2021b] LAMMPS v23Jun2022 w/ Python 3.9.5 + 3.9.6 and CUDA Jul 22, 2022

Merge branch 'develop' of https://github.com/easybuilders/easybuild-e…

05f63b1

…asyconfigs into 20220722150129_new_pr_LAMMPS23Jun2022

Update LAMMPS-23Jun2022-foss-2021b-kokkos-CUDA-11.4.1.eb

f5e6c51

ocaisa added 2 commits July 22, 2022 17:55

Update LAMMPS-23Jun2022-foss-2021a-kokkos-CUDA-11.3.1.eb

396f263

Update LAMMPS-23Jun2022-foss-2021b-kokkos-CUDA-11.4.1.eb

494fc0e

ocaisa mentioned this pull request Jul 25, 2022

{chem}[GCCcore/11.2.0,foss/2021b] LAMMPS v29Sep2021 (with and without cuda) #14815

Closed

Alan O'Cais and others added 3 commits July 25, 2022 09:50

Fix link issue for 2021a, C++ standard issue for 2021b

920d48e

Fix style issue

d8e6d93

Update LAMMPS-23Jun2022-foss-2021b-kokkos-CUDA-11.4.1.eb

db7d69e

Alan O'Cais added 2 commits August 3, 2022 09:20

Merge branch 'develop' into 20220722150129_new_pr_LAMMPS23Jun2022

d9f270b

Allow use of SYSTEM in dep toolchain for testsuite

ba53a9f

ocaisa mentioned this pull request Aug 3, 2022

Test suite does not accept SYSTEM as valid toolchain for dep #15901

Closed

boegel added this to the 4.x milestone Aug 3, 2022

Update to latest sources

4f7fb13

SebastianAchilles previously approved these changes Aug 8, 2022

View reviewed changes

boegel mentioned this pull request Aug 25, 2022

use SYSTEM constant for dependency that uses system toolchain in dumped easyconfig easybuilders/easybuild-framework#4069

Merged

boegel reviewed Aug 25, 2022

View reviewed changes

test/easyconfigs/easyconfigs.py Outdated Show resolved Hide resolved

Merge branch 'develop' into 20220722150129_new_pr_LAMMPS23Jun2022

9bc1425

boegel dismissed SebastianAchilles’s stale review via 9bc1425 August 29, 2022 09:21

boegel modified the milestones: 4.x, next release (4.6.1?) Aug 29, 2022

boegel approved these changes Aug 29, 2022

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boegel merged commit 5b57d57 into easybuilders:develop Aug 29, 2022

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{chem}[foss/2021a,foss/2021b] LAMMPS v23Jun2022 w/ Python 3.9.5 + 3.9.6 and CUDA #15900

{chem}[foss/2021a,foss/2021b] LAMMPS v23Jun2022 w/ Python 3.9.5 + 3.9.6 and CUDA #15900

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{chem}[foss/2021a,foss/2021b] LAMMPS v23Jun2022 w/ Python 3.9.5 + 3.9.6 and CUDA #15900

{chem}[foss/2021a,foss/2021b] LAMMPS v23Jun2022 w/ Python 3.9.5 + 3.9.6 and CUDA #15900

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