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23778 commits 34 branches 26 tags 443 MiB
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114 commits

Author SHA1 Message Date
Matthias Krack
29578c7298
Sync CI dockerfiles (see #5462) (#5545) 2026-07-10 13:46:16 +02:00
Matthias Krack
5576033f5b
Increase timeouts and timelimits for CSCS CI jobs (#5486) 2026-06-29 13:49:05 +02:00
Matthias Krack
e32986a768
Fix syntax error (#5432) 2026-06-23 17:37:26 +02:00
Matthias Krack
1efe93f5c2
Fix image tag generation (#5425) 2026-06-22 14:19:06 +02:00
Matthias Krack
47a39399f3
Disable libtorch with GCC 10 (#5420) 2026-06-22 10:18:52 +02:00
Matthias Krack
561f47539b
Update CSCS CI tester (#5415) 2026-06-21 07:39:04 +02:00
Matthias Krack
59927b9229
make_cp2k.sh: Introduce --use_cache flag (#5149) 2026-05-08 09:59:03 +02:00
Matthias Krack
565e00f97f
Fix Cray tester (#5135) 2026-05-06 09:56:12 +02:00
Matthias Krack
0df199bbba Disable libtorch for CI tester 2026-03-28 05:51:26 +01:00
Matthias Krack
3e9557df5d Increase time limit 2026-03-07 12:54:33 +01:00
Matthias Krack
b44873c12d Increase number of packages built in parallel for the CI tester 2026-03-07 12:54:33 +01:00
Matthias Krack
0ec2378a6c Fix typo; drop prerequisite for test run 2026-03-01 15:22:04 +01:00
Matthias Krack
70b5527ee6 Fix circular dependency 2026-02-27 20:42:16 +01:00
Matthias Krack
da287098b2 Add separate benchmark runs for ELPA to CI test 2026-02-27 20:42:16 +01:00
Matthias Krack
738cd77190 Add CUDA environment setup and run only tests with ELPA 2026-02-26 20:35:03 +01:00
Matthias Krack
3f90738f87 Add separate benchmark tests for ELPA 2026-02-26 20:35:03 +01:00
Matthias Krack
0cad5cb6b1 Add ELPA test 2026-02-26 20:35:03 +01:00
Matthias Krack
06f39e1b88 Sync tester configuration 2026-02-26 20:35:03 +01:00
Matthias Krack
d54fdbb405
H100: Add benchmark stage and test more features (#4870) 2026-02-23 20:32:05 +01:00
Matthias Krack
a9a9e09f53
Various fixes for the Cray H100 tester (#4869) 
- Set unique PERSIST_IMAGE_NAME and fix typo
- Allow for change of BASE_IMAGE
- Fix short-name resolution issue
- Fix disable all features for libxsmm
- Add test runs to tester
- Add stage test to list
- Fix tag and add device flag
- Use netmod ofi instead of ucx
 2026-02-23 09:40:41 +01:00
Matthias Krack
65c71bef51
Add Cray psmp H100 tester (#4868) 2026-02-22 19:51:33 +01:00
Matthias Krack
bec65495dc
Fix Cray tester (#4866) 
- Drop openpmd feature for Daint
- Reduce default number of OMP_NUM_THREADS from 8 to 2 in launch script
- Use popt binary for benchmark runs
- Use old libfabric 1.22.0 for CSCS tester instead of version 2.4.0
- Add feature flags and increase time limit for Cray tester
- Use py-torch 2.9.0 instead of 2.10.0
 2026-02-22 08:55:25 +01:00
Matthias Krack
3d9e421291 Update CI docker files and adapt make_cp2k script 
- fix spack path in docker file
- drop cray flag
- drop hwloc and libhwloc in base image
- adapt sed command for MPI selection
- disable extra fabrics for the time being
- print CUDA version only if defined
 2026-02-13 17:11:16 +01:00
Matthias Krack
7d693f415a Recover packages hwloc and libhwloc-dev for Cray 2026-02-10 12:16:39 +01:00
Matthias Krack
026a55ffeb Sync CI docker files (launch script name) 2026-02-10 09:22:07 +01:00
Matthias Krack
d2b3edacdf Update CP2K installation path 2026-02-02 07:46:33 +01:00
Matthias Krack
10126dff3c Add NUM_PROCS; discard test run after install step 2026-02-02 07:46:33 +01:00
Matthias Krack
e1834e69bf Disable local cache for CI/CD testing 2026-02-02 07:46:33 +01:00
Matthias Krack
1bb5f7d1d6 Use make_cp2k.sh script for CI/CD testing 2026-02-02 07:46:33 +01:00
Matthias Krack
78931c6763 Spack requires "spack_repo" to be in the repo path 2026-01-07 15:59:19 +01:00
Matthias Krack
d6a688d249 Use command line flag to set CP2K_DATA_DIR 2026-01-03 22:09:57 +01:00
Matthias Krack
86f2eaf404 Remove hard-set CP2K_DATA_DIR in do_regtest.py (#4659) 2026-01-03 22:09:57 +01:00
Matthias Krack
b7374a062a Add library path for MiMiC (MCL) 2025-12-30 21:39:06 +01:00
Matthias Krack
c23c79bdb8 Install xpmem library with Spack 2025-12-26 16:32:53 +01:00
Matthias Krack
3ecab328bf Remove unneeded file copy 2025-12-26 16:32:53 +01:00
Matthias Krack
e1f45583bb Spack packages 2025.07.0 -> 2025.11.0 2025-12-26 16:32:53 +01:00
Matthias Krack
a795472a78 Spack 1.0.0 -> 1.1.0 2025-12-26 16:32:53 +01:00
Matthias Krack
0667fa4c56 Update paths 2025-12-22 15:43:55 +01:00
Matthias Krack
4bfb9b15cf Install Spack view in install_tree 2025-12-22 15:43:55 +01:00
Rocco Meli
dd06dd4b38 inplace 2025-09-11 11:10:18 +02:00
Rocco Meli
bd486b8e57 enable xpmem 2025-09-11 11:10:18 +02:00
Matthias Krack
6f51621162 Simplify: drop CP2K build type 2025-08-08 08:34:12 +02:00
Matthias Krack
91b23a3ffe Switch to Spack release 1.0.0 and first Spack packages release 2025.07.0 2025-07-21 22:57:54 +02:00
Matthias Krack
d06000f5fd Switch CPU bind from sockets to cores 2025-07-20 00:09:11 +02:00
Matthias Krack
19aad1fec0 Drop 2 nodes benchmark for the time being 2025-07-20 00:09:11 +02:00
Matthias Krack
05d5aa570e Add missing stage entry 2025-07-20 00:09:11 +02:00
Matthias Krack
88140b8d13 Add benchmark tests for CSCS CI on Daint 2025-07-20 00:09:11 +02:00
Matthias Krack
51ae3fc9cf Use more recent Spack version from July 17 2025-07-18 17:48:28 +02:00
Matthias Krack
ae858aec22 Drop the CI log file which is now obsolete after the CSCS-CI has been interfaced with the CP2K-CI 2025-07-17 17:19:55 +02:00
Matthias Krack
27602184f9 Drop toolchain build based CI at CSCS for CP2K 
Keep only the Spack/CMake based CI testing
 2025-07-17 17:19:55 +02:00