bioexcel gromacs-docker issues

bioexcel / gromacs-docker

Dockerfile for GROMACS

MIT License

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issues

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Test

#25 obiorahedeh-stemcell closed 1 year ago
0
Add build for Slurm MPI usage

#24 tbugfinder opened 2 years ago
2
update to 2022.2

#23 douglowe closed 2 years ago
0
2022 release

#22 stain closed 2 years ago
0
Enabling MPI in Gromacs docker image

#21 areyesromero opened 2 years ago
1
GROMACS 2022

#20 douglowe closed 2 years ago
0
GROMACS version bump to 2021.5

#19 douglowe closed 2 years ago
1
Testing 2022-rc1

#18 douglowe closed 2 years ago
1
Update to 2021.4 GROMACS

#17 douglowe closed 2 years ago
7
Create GROMACS 2020.6 images

#16 douglowe closed 2 years ago
1
2020.6 release

#15 douglowe closed 2 years ago
0
Minor Updates

#14 longr closed 3 years ago
0
Gromacs container with a Non Root User

#13 hovo1990 opened 3 years ago
0
Major overhaul of CI system and update of version

#12 longr closed 3 years ago
0
Update to Gromacs 2020.3

#11 stain closed 3 years ago
0
Docker for MAC RDTSCP instructions

#10 PauAndrio opened 3 years ago
1
Gromacs 2020.3

#9 longr closed 3 years ago
0
OpenMP Default max cap

#8 arthurd2 opened 4 years ago
3
Major overhaul to building the images

#7 longr closed 4 years ago
5
Bad performance on GPU

#6 tbugfinder closed 4 years ago
1
Merge dev into master

#5 mabraham closed 4 years ago
0
check docker hub build v2020 (:latest)

#4 tbugfinder closed 4 years ago
25
update base image to 18.04 and CUDA10.2

#3 tbugfinder closed 4 years ago
0
use gromacs 2020.1

#2 tbugfinder closed 4 years ago
1
Bumped gromacs to version 2019.4, and incremented md5 as well.

#1 longr closed 4 years ago
0