{phys}[foss/2022a] HOOMD-blue v4.0.1 w/ Python 3.10.4 + CUDA 11.7.0 #18218

akesandgren · 2023-06-28T14:04:58Z

(created using eb --new-pr)

akesandgren · 2023-06-28T14:14:59Z

Test report by @akesandgren
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
b-cn1603.hpc2n.umu.se - Linux Ubuntu 22.04, x86_64, AMD EPYC 7313 16-Core Processor, 1 x NVIDIA NVIDIA A100 80GB PCIe, 525.116.04, Python 3.10.6
See https://gist.github.com/akesandgren/d94edb05b1d85de66270788d2853631e for a full test report.

verdurin · 2023-06-28T14:30:09Z

@boegelbot please test @ generoso

boegelbot · 2023-06-28T14:35:08Z

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

PR test command 'EB_PR=18218 EB_ARGS= EB_CONTAINER= /opt/software/slurm/bin/sbatch --job-name test_PR_18218 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 11151

Test results coming soon (I hope)...

- notification for comment with ID 1611529807 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).

verdurin · 2023-06-28T14:45:43Z

Test report by @verdurin
FAILED
Build succeeded for 1 out of 2 (1 easyconfigs in total)
easybuild-c7.novalocal - Linux CentOS Linux 7.9.2009, x86_64, Intel Xeon Processor (Skylake, IBRS), Python 3.6.8
See https://gist.github.com/verdurin/ab1b2a9f3efaba427f38e5ff96ad3c5a for a full test report.

verdurin · 2023-06-28T14:49:18Z

45% tests passed, 36 tests failed out of 65

Total Test time (real) = 175.81 sec

The following tests FAILED:
          1 - test_cell_list (Failed)
          2 - test_cell_list_stencil (Failed)
          3 - test_gpu_array (Failed)
          4 - test_global_array (Failed)
         18 - test_warp_tools (Failed)
         19 - mpi-test_load_balancer (Failed)
         20 - test_warp_tools-synccheck (Failed)
         21 - test_bondtable_bond_force (Failed)
         22 - test_external_periodic (Failed)
         23 - test_fire_energy_minimizer (Failed)
         24 - test_cosinesq_angle_force (Failed)
         25 - test_harmonic_angle_force (Failed)
         26 - test_harmonic_bond_force (Failed)
         27 - test_harmonic_dihedral_force (Failed)
         28 - test_harmonic_improper_force (Failed)
         29 - test_MolecularForceCompute (Failed)
         30 - test_neighborlist (Failed)
         31 - test_opls_dihedral_force (Failed)
         32 - test_pppm_force (Failed)
         33 - test_table_angle_force (Failed)
         34 - test_table_dihedral_force (Failed)
         37 - mpi-test_communication (Failed)
         38 - mpi-test_communicator_grid (Failed)
         52 - mpcd-core-at_collision_method (Failed)
         53 - mpcd-core-cell_list (Failed)
         54 - mpcd-core-cell_thermo_compute (Failed)
         55 - mpcd-core-slit_geometry_filler (Failed)
         56 - mpcd-core-slit_pore_geometry_filler (Failed)
         57 - mpcd-core-sorter (Failed)
         58 - mpcd-core-srd_collision_method (Failed)
         59 - mpcd-core-streaming_method (Failed)
         61 - mpcd-core-cell_communicator-mpi (Failed)
         62 - mpcd-core-cell_list-mpi (Failed)
         63 - mpcd-core-cell_thermo_compute-mpi (Failed)
         64 - mpcd-core-slit_geometry_filler-mpi (Failed)
         65 - mpcd-core-slit_pore_geometry_filler-mpi (Failed)
Errors while running CTest
make: *** [test] Error 8

Example test failure:

--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
==== backtrace (tid:  29689) ====
 0 0x0000000000036400 killpg()  ???:0
 1 0x00000000002ec59c hoomd::ExecutionConfiguration::ExecutionConfiguration()  ???:0
 2 0x00000000004082ab slit_pore_fill_mpi_gpu::run()  ???:0
 3 0x000000000040ac12 upp11::TestInvokerTrivial<slit_pore_fill_mpi_gpu>::invoke()  ???:0
 4 0x000000000040f5e9 upp11::TestCollection::runAllTests()  ???:0
 5 0x0000000000406aae main()  ???:0
 6 0x0000000000022555 __libc_start_main()  ???:0
 7 0x0000000000406da1 _start()  ???:0
=================================
[easybuild-c7:29689] *** Process received signal ***
[easybuild-c7:29689] Signal: Floating point exception (8)
[easybuild-c7:29689] Signal code:  (-6)
[easybuild-c7:29689] Failing at address: 0x3e9000073f9
[easybuild-c7:29689] [ 0] /lib64/libpthread.so.0(+0xf630)[0x7fb2e76ba630]
[easybuild-c7:29689] [ 1] /dev/shm/HOOMDblue/4.0.1/foss-2022a-CUDA-11.7.0/easybuild_obj/hoomd/_hoomd.cpython-310-x86_64-linux-gnu.so(_ZN5hoomd22ExecutionConfigurationC1ENS0_13executionModeESt6vectorIiSaIiEESt10shar
ed_ptrINS_16MPIConfigurationEES5_INS_9MessengerEE+0xd9c)[0x7fb30fcba59c]
[easybuild-c7:29689] [ 2] /dev/shm/HOOMDblue/4.0.1/foss-2022a-CUDA-11.7.0/easybuild_obj/hoomd/mpcd/test/slit_pore_geometry_filler_mpi_test[0x4082ab]
[easybuild-c7:29689] [ 3] /dev/shm/HOOMDblue/4.0.1/foss-2022a-CUDA-11.7.0/easybuild_obj/hoomd/mpcd/test/slit_pore_geometry_filler_mpi_test[0x40ac12]
[easybuild-c7:29689] [ 4] /dev/shm/HOOMDblue/4.0.1/foss-2022a-CUDA-11.7.0/easybuild_obj/hoomd/mpcd/test/slit_pore_geometry_filler_mpi_test[0x40f5e9]
[easybuild-c7:29689] [ 5] /dev/shm/HOOMDblue/4.0.1/foss-2022a-CUDA-11.7.0/easybuild_obj/hoomd/mpcd/test/slit_pore_geometry_filler_mpi_test[0x406aae]
[easybuild-c7:29689] [ 6] /lib64/libc.so.6(__libc_start_main+0xf5)[0x7fb2e7af1555]
[easybuild-c7:29689] [ 7] /dev/shm/HOOMDblue/4.0.1/foss-2022a-CUDA-11.7.0/easybuild_obj/hoomd/mpcd/test/slit_pore_geometry_filler_mpi_test[0x406da1]
[easybuild-c7:29689] *** End of error message ***

boegelbot · 2023-06-28T15:23:54Z

Test report by @boegelbot
FAILED
Build succeeded for 0 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/9e39c4aa47ea3d88892d346694a25220 for a full test report.

easybuild/easyconfigs/h/HOOMD-blue/HOOMD-blue-4.0.1-foss-2022a-CUDA-11.7.0.eb

branfosj · 2023-06-28T15:41:41Z

Test report by @branfosj
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in total)
bear-pg0203u29a.bear.cluster - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Platinum 8360Y CPU @ 2.40GHz (icelake), 1 x NVIDIA NVIDIA A100-SXM4-80GB, 520.61.05, Python 3.6.8
See https://gist.github.com/branfosj/b18b6131c2e043db3ce03b41030b6d03 for a full test report.

branfosj · 2023-06-28T15:46:01Z

== 2023-06-28 16:41:39,062 build_log.py:171 ERROR EasyBuild crashed with an error (at easybuild/src/easybuild-framework/easybuild/base/exceptions.py:126 in __init__): Sanity check failed: sanity check command python -c 'import hoomd' exited with code 1 (output: Traceback (most recent call last):
  File "<string>", line 1, in <module>
  File "/rds/projects/2017/branfosj-rse/easybuild/test/software/HOOMD-blue/4.0.1-foss-2022a-CUDA-11.7.0/hoomd/__init__.py", line 60, in <module>
    from hoomd import version
  File "/rds/projects/2017/branfosj-rse/easybuild/test/software/HOOMD-blue/4.0.1-foss-2022a-CUDA-11.7.0/hoomd/version.py", line 64, in <module>
    from hoomd import _hoomd
ImportError: cannot import name '_hoomd' from partially initialized module 'hoomd' (most likely due to a circular import) (/rds/projects/2017/branfosj-rse/easybuild/test/software/HOOMD-blue/4.0.1-foss-2022a-CUDA-11.7.0/hoomd/__init__.py)

branfosj · 2023-06-28T15:46:10Z

Test report by @branfosj
FAILED
Build succeeded for 2 out of 3 (1 easyconfigs in total)
bear-pg0105u03a.bear.cluster - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Platinum 8360Y CPU @ 2.40GHz (icelake), Python 3.6.8
See https://gist.github.com/branfosj/f42fd5a7a688e172e05cf5f271f0e9c3 for a full test report.

…-CUDA-11.7.0.eb Co-authored-by: Simon Branford <4967+branfosj@users.noreply.github.com>

akesandgren · 2023-06-29T06:11:12Z

@verdurin @branfosj
Ok, just to try to pinpoint where the problem is, can you try PR #18224 which is the non-CUDA version of this one.

SebastianAchilles · 2023-06-29T11:12:02Z

Test report by @SebastianAchilles
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
skl-rockylinux-88 - Linux Rocky Linux 8.8, x86_64, Intel(R) Core(TM) i7-10700 CPU @ 2.90GHz (skylake), 1 x NVIDIA NVIDIA RTX A4000, 530.30.02, Python 3.6.8
See https://gist.github.com/SebastianAchilles/1b234bb0c9082881781ce636fcdf8aff for a full test report.

easybuild/easyconfigs/h/HOOMD-blue/HOOMD-blue-4.0.1-foss-2022a-CUDA-11.7.0.eb

branfosj · 2023-07-01T18:04:21Z

Test report by @branfosj
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
bear-pg0203u29a.bear.cluster - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Platinum 8360Y CPU @ 2.40GHz (icelake), 1 x NVIDIA NVIDIA A100-SXM4-80GB, 520.61.05, Python 3.6.8
See https://gist.github.com/branfosj/5ec005718096106da152da74a20ad755 for a full test report.

akesandgren · 2023-07-04T05:47:04Z

@branfosj ping?

branfosj · 2023-07-08T12:19:19Z

Going in, thanks @akesandgren!

adding easyconfigs: HOOMD-blue-4.0.1-foss-2022a-CUDA-11.7.0.eb

8cf40a8

akesandgren added the new label Jun 28, 2023

akesandgren added this to the 4.x milestone Jun 28, 2023

akesandgren mentioned this pull request Jun 28, 2023

{phys}[fosscuda/2019b] HOOMD v2.9.1 w/ Python 3.7.4 #11290

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branfosj reviewed Jun 28, 2023

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…-CUDA-11.7.0.eb Co-authored-by: Simon Branford <4967+branfosj@users.noreply.github.com>

boegel changed the title ~~{phys}[foss/2022a] HOOMD-blue v4.0.1 w/ Python 3.10.4~~ {phys}[foss/2022a] HOOMD-blue v4.0.1 w/ Python 3.10.4 + CUDA 11.7.9 Jun 29, 2023

boegel changed the title ~~{phys}[foss/2022a] HOOMD-blue v4.0.1 w/ Python 3.10.4 + CUDA 11.7.9~~ {phys}[foss/2022a] HOOMD-blue v4.0.1 w/ Python 3.10.4 + CUDA 11.7.0 Jun 29, 2023

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point cmake at the EB Python

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branfosj approved these changes Jul 8, 2023

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branfosj modified the milestones: 4.x, next release (4.8.1?) Jul 8, 2023

branfosj merged commit 373e807 into easybuilders:develop Jul 8, 2023
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akesandgren deleted the 20230628160416_new_pr_HOOMD-blue401 branch July 9, 2023 09:27

sassy-crick mentioned this pull request Oct 2, 2023

HOOMD-blue CUDA on RTX-6000 GPUs testjob fail #18902

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{phys}[foss/2022a] HOOMD-blue v4.0.1 w/ Python 3.10.4 + CUDA 11.7.0 #18218

{phys}[foss/2022a] HOOMD-blue v4.0.1 w/ Python 3.10.4 + CUDA 11.7.0 #18218

akesandgren commented Jun 28, 2023

akesandgren commented Jun 28, 2023

verdurin commented Jun 28, 2023

boegelbot commented Jun 28, 2023

verdurin commented Jun 28, 2023

verdurin commented Jun 28, 2023

boegelbot commented Jun 28, 2023

branfosj commented Jun 28, 2023

branfosj commented Jun 28, 2023

branfosj commented Jun 28, 2023

akesandgren commented Jun 29, 2023

SebastianAchilles commented Jun 29, 2023

branfosj commented Jul 1, 2023

akesandgren commented Jul 4, 2023

branfosj commented Jul 8, 2023

{phys}[foss/2022a] HOOMD-blue v4.0.1 w/ Python 3.10.4 + CUDA 11.7.0 #18218

{phys}[foss/2022a] HOOMD-blue v4.0.1 w/ Python 3.10.4 + CUDA 11.7.0 #18218

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akesandgren commented Jun 28, 2023

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