Skip to content

{tools}[GCC/10.3.0] AutoDock-GPU v1.5.3#14671

Merged
branfosj merged 1 commit intoeasybuilders:developfrom
lexming:20220106114051_new_pr_AutoDock-GPU153
Jan 6, 2022
Merged

{tools}[GCC/10.3.0] AutoDock-GPU v1.5.3#14671
branfosj merged 1 commit intoeasybuilders:developfrom
lexming:20220106114051_new_pr_AutoDock-GPU153

Conversation

@lexming
Copy link
Copy Markdown
Contributor

@lexming lexming commented Jan 6, 2022

(created using eb --new-pr)

Even though this is a GPU accelerated version of AutoDock, it deserves it's own package name as it is a different project and the binaries do not overlap with those of AutoDock.

@lexming lexming added the new label Jan 6, 2022
@lexming
Copy link
Copy Markdown
Contributor Author

lexming commented Jan 6, 2022

@boegelbot: please test @ generoso

@boegelbot
Copy link
Copy Markdown
Collaborator

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

PR test command 'EB_PR=14671 EB_ARGS= /opt/software/slurm/bin/sbatch --job-name test_PR_14671 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 7661

Test results coming soon (I hope)...

Details

- notification for comment with ID 1006489654 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).

@lexming
Copy link
Copy Markdown
Contributor Author

lexming commented Jan 6, 2022

Test report by @lexming
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node152.hydra.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz, 1 x NVIDIA Tesla K20Xm, 470.82.01, Python 2.7.5
See https://gist.github.com/d4d9303d56c69e4a28cdcfe4b6d03509 for a full test report.

@boegelbot
Copy link
Copy Markdown
Collaborator

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
cns2 - Linux rocky linux 8.4, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/0f9f30c01739ad471b769bd47701b4d3 for a full test report.

@branfosj
Copy link
Copy Markdown
Member

branfosj commented Jan 6, 2022

Test report by @branfosj
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
bear-pg0103u01a.bear.cluster - Linux RHEL 8.5, x86_64, Intel(R) Xeon(R) Gold 6330 CPU @ 2.00GHz (icelake), 2 x NVIDIA NVIDIA A100-PCIE-40GB, 470.57.02, Python 3.6.8
See https://gist.github.com/2c3a5ac1ce66541d3513ff32f5d729c7 for a full test report.

Copy link
Copy Markdown
Member

@branfosj branfosj left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

lgtm

@branfosj branfosj added this to the next release (4.5.2?) milestone Jan 6, 2022
@branfosj
Copy link
Copy Markdown
Member

branfosj commented Jan 6, 2022

Going in, thanks @lexming!

@branfosj branfosj merged commit 7c8515b into easybuilders:develop Jan 6, 2022
@lexming lexming deleted the 20220106114051_new_pr_AutoDock-GPU153 branch January 6, 2022 21:45
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants