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27 commits

Author SHA1 Message Date
Dynamics of Condensed Matter
16ac5b65f8
Move SCF k-point dipoles to qs_moments (#5222) 
Co-authored-by: Thomas D. Kuehne <tkuehne@cp2k.org>
 2026-05-17 17:15:16 +02:00
SY Wang
5a6802b4bc
Toolchain: OpenMPI 5.0.9 -> 5.0.10 (#4995) 2026-03-24 10:00:35 +01:00
Ole Schütt
ca6acaeee7 Docker: Re-enable --keepalive and --flagslow 2026-01-01 22:31:26 +01:00
Ole Schütt
d710185059 Docker: Cleanup after Makefile removal 2025-12-27 17:45:13 +01:00
Ole Schütt
94ac44b96e Regtesting: Use --bind-to none by default 2023-12-28 12:13:37 +01:00
Ole Schütt
47e8414d44 Docker: Copy logs into artifacts after failure 2023-12-12 18:09:04 +01:00
Ole Schütt
1a8a8ac7cf Docker: Do not flag slow tests in minimal build 2023-01-22 19:47:37 +01:00
Ole Schütt
b01cdf04a1 Regtesting: Add check for slow tests 2023-01-20 12:02:28 +01:00
Ole Schütt
5e7252e275 Docker: Set unlimited stack size only for Intel compiler 2022-05-12 19:06:29 +02:00
Ole Schütt
7b909a0359 Docker: Add test for Intel oneAPI 2022-05-09 18:37:48 +02:00
Ole Schütt
532c618f74 Docker: Re-enable keepalive mode for GPU regtest 2022-05-04 07:56:49 +02:00
Ole Schütt
e861a83b17 Docker: Move install dir to /opt/cp2k 2022-03-11 17:12:55 +01:00
Ole Schütt
2f1076a966 Docker: Install CP2K from docker build context 2022-02-13 22:06:01 +01:00
Ole Schütt
219eac8654 Docker: Move check of benchmark inputs into test_performance.sh 2022-02-13 22:06:01 +01:00
Ole Schütt
8eae7e3658 regtesting: Fix OpenMPI compatibility 2021-10-28 18:55:38 +02:00
Ole Schütt
545439e58c Docker: Remove early adoption of do_regtest.py 2021-10-27 15:01:36 +02:00
Ole Schütt
23844a3ef0 Docker: Use new do_regtest.py for Cuda test 2021-06-04 16:34:52 +02:00
Ole Schütt
8ad318d5b7 COSMA: Switch to prefixed_pxgemm API and upgrade to v2.5.0 2021-05-27 11:19:42 +02:00
Ole Schütt
d59a3ad777 Format all shell scripts 2021-02-18 00:33:20 +01:00
Ole Schütt
e6bf21660f Docker: Fix pdbg test 2021-01-28 18:11:28 +01:00
Ole Schütt
3391e16178 Use tag instead of sha 2020-11-23 20:01:07 +01:00
Ole Schütt
4b86e7e9df Docker: Pin DBCSR version for pdbg test 2020-11-23 20:01:07 +01:00
Ole Schütt
283c0c5360 Docker: Improve error messages and comply with shellcheck 2020-07-10 22:50:35 +02:00
Ole Schütt
815b46f892 Docker: Add input check for benchmarks 2020-03-12 13:10:24 +01:00
Ole Schütt
25db5e70a7 Docker: Make OpenMPI happy 2019-07-03 13:31:54 +02:00
Ole Schütt
432c3ca78d Docker: Prevent CI from overwriting summary message 2019-05-15 16:01:32 +02:00
Ole Schütt
4a97bb7342
Docker: Major refactoring (#87) 2018-11-08 13:56:15 +01:00