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223 commits

Author SHA1 Message Date
Matthias Krack
f72f471dbf Add QS/regtest-gapw_xc to keepalive blacklist 2022-07-04 13:02:02 +02:00
Matthias Krack
8f7e570db5 Preserve suppression of keepalive mode after split of test directories 2022-06-07 17:46:28 +02:00
Matthias Krack
aaa3bad4b0 Adjust format for aligned printout 2022-06-07 13:39:05 +02:00
Ole Schütt
c95bc90b64 Shell: Extend input buffer to 1024 characters 2022-06-07 10:48:20 +02:00
Matthias Krack
a35688f3f2 Adaptations for Darwin 2022-05-18 17:32:31 +02:00
Ole Schütt
895ec07cf5 precommit: Upgrade to Ubuntu 22.04 2022-05-11 14:17:18 +02:00
Ole Schütt
ccdbba7e90 regtesting: Add --skipdir option to do_regtest.py 2022-05-09 18:37:48 +02:00
Alfio Lazzaro
c1a0131494
Update DBCSR v2.3.0-rc0 (#2011) 
* Update DBCSR

* Restore INTRINSICS flag

* Use ELPA library path without OpenMP

* Add fallow-argument-mismatch to FCFLAGS when GCC > 10

* Add DBM_HIP for HIP on NVIDIA device

* Force OFFLOAD_DGEMM when spla is not rebuilt

* Allow to set num_gpus via CLI

* Update DBCSR to v2.3.0-rc0
 2022-03-28 13:47:09 +02:00
Ole Schütt
9f8b4e1b1e regtesting: Print test values again to restore survey 2022-02-25 22:52:59 +01:00
Matthias Krack
a177d9ecd1 No keepalive mode for tests using libvori 2022-02-07 16:02:11 +01:00
Eisuke Kawashima
85e7b7d615
Python: PEP8 fixes (#1926) 
* fix [E401](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* fix [E711](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* fix [E713](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* fix [E722](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* fix [W601](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* fix [W605](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)
 2022-02-03 11:35:01 +01:00
Eisuke Kawashima
19aad5a6bd
Fix various shellcheck warnings 
* fix [SC2006](https://github.com/koalaman/shellcheck/wiki/SC2006)

* fix [SC2039](https://github.com/koalaman/shellcheck/wiki/SC2039)

* fix [SC2071](https://github.com/koalaman/shellcheck/wiki/SC2071)

* fix [SC2173](https://github.com/koalaman/shellcheck/wiki/SC2173)
 2022-01-28 11:55:35 +01:00
Ole Schütt
cbaf0f4606 regtesting: Add timeouts to shell communication 2022-01-11 18:08:51 +01:00
Ole Schütt
5a4eaeead9 regtesting: Use re.fullmatch for --restrictdir 2021-12-28 12:18:35 +01:00
Matthias Krack
60ac3bc967 make "pretty" 2021-12-10 11:54:27 +01:00
Matthias Krack
f19bc41fd7 Do not use shell mechanism for ec tests 2021-12-10 11:54:27 +01:00
Fabian Ducry
f45d5d9227 fix shebang -> /usr/bin/env python3 2021-11-24 16:09:42 +01:00
Matthias Krack
9a7b4d736b Add flag for work base dir 2021-11-04 15:03:23 +01:00
Matthias Krack
08388a1bd5 Run tests in classic mode failing with keepalive 2021-11-04 10:37:11 +01:00
Matthias Krack
eb7a39737e Use -n flag common to both mpiexec and srun 2021-11-03 11:07:37 +01:00
Ole Schütt
5fed491dca regtesting: Fix Python 3.6 compatibility 2021-10-28 18:55:38 +02:00
Ole Schütt
8eae7e3658 regtesting: Fix OpenMPI compatibility 2021-10-28 18:55:38 +02:00
Ole Schütt
adbf7f0be0 regtesting: Ignore encoding errors 2021-10-28 18:55:38 +02:00
Ole Schütt
8802c890ea regtesting: Replace status TIMEOUT with TIMED OUT 2021-10-28 18:55:38 +02:00
Ole Schütt
4ee6346eb2 regtesting: Remove dependency on typing_extensions 2021-10-28 18:55:38 +02:00
Ole Schütt
370690111b regtesting: Add classic mode to do_regtest.py 2021-10-27 15:01:36 +02:00
Matthias Krack
47f9fa0235 Print info about OMP_STACKSIZE 2021-09-29 13:56:21 +02:00
Ole Schütt
2ff7a53c31 regtesting: Fix visible_gpu_devices 2021-07-05 14:30:20 +02:00
Ole Schütt
5929cfdf3e regtesting: Set HIP_VISIBLE_DEVICES 2021-07-02 13:37:01 +02:00
Ole Schütt
6dcb27d01a regtesting: Improve wrong result message 2021-06-08 15:49:46 +02:00
Ole Schütt
d4a823054a Regtests: Optimize TEST_DIRS order 2021-06-04 16:34:52 +02:00
Ole Schütt
23844a3ef0 Docker: Use new do_regtest.py for Cuda test 2021-06-04 16:34:52 +02:00
Ole Schütt
bbd158e2cc regtesting: Add do_regtest.py 2021-06-04 16:34:52 +02:00
Ole Schütt
3359402a82 Docker: Remove test_scaling, it got replaced by test_performance 2021-03-11 21:23:57 +01:00
Tiziano Müller
97d9c2f1f6 regtest: remove deprecated options completely 
should help with conda-forge/cp2k-feedstock#7
 2020-12-02 19:27:58 +01:00
Ole Schütt
4e271ea1eb Toolchain: Remove dependency on locales 2020-10-19 18:50:12 +02:00
Ole Schütt
67d412b930 Set encoding explicitly to utf8 in Python and Perl 2020-10-19 11:25:10 +02:00
Ole Schütt
d11024a487 do_regtest: Move to Python3 2020-10-18 12:31:17 +02:00
Tiziano Müller
61740544b7 regtesting: use en_US.UTF-8 since it seems more portable 2020-08-11 14:29:21 +02:00
Edward Ditler
a4c43d8a6b Allow non-ASCII characters. 2020-08-10 17:04:08 +02:00
Matthias Krack
4f34284b7e Remove unused regtest configuration files 2020-08-06 12:46:12 +02:00
Matthias Krack
903ff39145 Count warnings 2020-08-06 06:50:18 +02:00
Matthias Krack
52240b9043 Perform proper clean for sopt and popt 2020-08-06 06:50:18 +02:00
Tiziano Müller
447073b048 regtesting: handle empty lines and comments gracefully 2020-07-31 10:58:33 +02:00
Matthias Krack
3dcdb90ad1 Fix extension for unittests 2020-06-12 19:22:29 +02:00
Matthias Krack
a4c458c12e Remove obsolete regtest configuration files 2020-06-11 21:25:39 +02:00
Ole Schütt
e15be0ade5 Docker: Remove popt from scaling test 2020-06-11 17:31:08 +02:00
Ole Schütt
8ba70f2a84 Move to Python3 2020-05-24 21:28:39 +02:00
Ole Schütt
815b46f892 Docker: Add input check for benchmarks 2020-03-12 13:10:24 +01:00
Alfio Lazzaro
6f13f0daac
Update DBCSR to v2.1.0-rc10 (#809) 
* Init DBCSR as first to set GPU device

* Add a comment, DBCSR has to be the first GPU call (workaround for mult-gpu)

* Remove MPI allocation in DBCSR

* Update dbcsr to 2.1.0-rc10
 2020-03-10 18:02:30 +01:00