|
|
bc30304f72
|
update plumed package version to 2.8.1
|
2022-10-22 23:01:47 -04:00 |
|
|
|
68a9db0950
|
fix typos
|
2022-06-08 17:07:08 -04:00 |
|
|
|
7769a8e0de
|
update ROCm to version 5.1.3 consistently
|
2022-06-08 12:18:17 -04:00 |
|
|
|
55fdb7f12a
|
update GPU container definitions for CUDA 11.7 and singularity -> apptainer
|
2022-06-08 08:19:54 -04:00 |
|
|
|
b7a3af7bd1
|
update plumed version in containers and install python3-venv
|
2022-04-21 12:01:49 -04:00 |
|
|
|
195455faa8
|
Update GPU and NVIDIA container definitions
|
2021-12-01 13:48:54 -05:00 |
|
|
|
ff919af3ef
|
Update container bundled PLUMED to v2.7.3
|
2021-12-01 11:39:05 -05:00 |
|
|
|
d5f70ed347
|
Update container definitions to include PLUMED 2.7.2
|
2021-09-08 17:43:12 -04:00 |
|
|
|
9fb29b165d
|
Update CUDA container definitions to CUDA 11.4
|
2021-09-08 17:40:48 -04:00 |
|
|
|
b74a32c1e3
|
Update Singularity definitions to use ROCm 4.3
|
2021-09-08 16:07:54 -04:00 |
|
|
|
7e05c6f8fd
|
Update ROCm container defintiion and add missing lib path
|
2021-06-02 14:40:37 -04:00 |
|
|
|
14f691f0af
|
Add support for NVIDIA OpenCL in Ubuntu gpu containers
|
2020-11-30 14:46:24 -05:00 |
|
|
|
4520eef1b0
|
include readline support to be ready for LAMMPS-Shell
|
2020-10-03 22:05:52 -04:00 |
|
|
|
41a1c96e06
|
Update other GPU containers
|
2020-09-04 14:19:41 -04:00 |
|
|
|
3bdfbdcf09
|
Update Ubuntu 18.04 GPU container and add Ubuntu 20.04
|
2020-09-04 14:06:38 -04:00 |
|
