148 commits

Author	SHA1	Message	Date
Ole Schuett	bcc057550e	Docker: Fix Error message on i-pi test	2022-06-04 10:18:46 +02:00
Ole Schütt	9c6eb679e5	Docker: Fix PostgreSQL install for AiiDA test	2022-05-19 20:05:19 +02:00
Ole Schütt	9ec910f202	Docker: Switch Gromacs branch master -> main	2022-05-19 20:05:19 +02:00
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	a1dac8cd7c	Docker: Enable test_cp2k_dcd.py in ASE	2022-04-13 12:41:37 +02:00
Ole Schütt	8e162c4fbc	Docker: Add generic test and prod files	2022-03-30 11:43:38 +02:00
Ole Schütt	4cf822df8c	Docker: Add build test for HIP-ROCm	2022-03-20 15:40:17 +01:00
Ole Schütt	74473a6d04	Docker: User build context for precommit test	2022-03-11 17:12:55 +01:00
Ole Schütt	e861a83b17	Docker: Move install dir to /opt/cp2k	2022-03-11 17:12:55 +01:00
Ole Schütt	fdd6874953	Dashboard: Revive generate_regtest_survey.py	2022-03-03 23:38:49 +01:00
Ole Schütt	b4b7b1df51	Docker: Run performance tests with -bind-to socket	2022-02-27 14:21:21 +01:00
Ole Schütt	ed7d5963ea	benchmarks: Add RI-MP2_ammonia.inp (Frederick Stein)	2022-02-27 14:21:21 +01:00
Ole Schütt	f2768158e7	Docker: User build context for all images	2022-02-24 19:11:59 +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 Schuett	e974820ca4	precommit: Add simple Makefile formatter	2022-02-07 10:02:03 +01:00
Ole Schütt	5c1a921a00	Docker: Fix convention test	2022-02-05 00:56:02 +01:00
Ole Schütt	2efb191b2d	Docker: Towards generated Dockerfiles	2022-01-30 14:35:31 +01:00
Ole Schütt	8e6715cef3	Docker: Add duration to test_performance.sh	2021-12-14 07:20:39 +01:00
Ole Schütt	b87748f425	benchmarks: Add RI-HFX_H2O-32.inp (Augustin Bussy)	2021-12-14 07:20:39 +01:00
Ole Schütt	9cea0ffd4a	Revive minimax_to_fortran_source.py	2021-11-17 15:22:35 +01:00
Ole Schütt	a1e222f0fb	Docker: Redirect build log in test_coverage.sh	2021-10-29 12:46:03 +02:00
Ole Schütt	8eae7e3658	regtesting: Fix OpenMPI compatibility	2021-10-28 18:55:38 +02:00
Ole Schütt	3a7db175b4	Dashboard: Retire farming test	2021-10-27 15:01:36 +02:00
Ole Schütt	545439e58c	Docker: Remove early adoption of do_regtest.py	2021-10-27 15:01:36 +02:00
Ole Schütt	7522f2590a	Docker: Switch Gromacs to use pkgconfig	2021-10-25 15:09:02 +02:00
Ole Schütt	4e2d5bf436	Docker: Exclude SIRIUS from farming test	2021-10-17 21:45:45 +02:00
Ole Schütt	6c79ea356f	Dashboard: Add Gromacs QM/MM test	2021-10-12 00:52:22 +02:00
Ole Schütt	cd42411d7c	benchmarks: Add diag_cu[72,144]_broy.inp (Marcella Iannuzzi)	2021-07-24 12:01:36 +02:00
Ole Schütt	f82eaf34a7	precommit: Check file properties of all files again	2021-07-24 12:01:25 +02:00
Ole Schütt	a05a6033f5	Docker: Use git checkout instead of reset	2021-07-05 14:30:20 +02:00
Ole Schütt	8fffeb4192	benchmarks: Add MQAE_single_node.inp (Holly Judge)	2021-06-26 10:42:27 +02:00
Ole Schütt	dbd2db90d7	Docker: Freeze version of mypy	2021-06-15 18:12:03 +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	8ad318d5b7	COSMA: Switch to prefixed_pxgemm API and upgrade to v2.5.0	2021-05-27 11:19:42 +02:00
Ole Schütt	2703552915	benchmarks: Add GW_PBE_4benzene.inp (Jan Wilhelm)	2021-05-05 11:03:59 +02:00
Ole Schütt	94e92db828	Docker: Simplify test_python.sh, include mypy, and test dashboard	2021-04-10 08:48:57 +02:00
Ole Schütt	34810910c1	Docker: Add Cuda performance test	2021-03-22 18:59:10 +01:00
Ole Schütt	15149397e0	Docker: Exclude toolchain from coverage report	2021-03-20 15:50:51 +01:00
Ole Schütt	3359402a82	Docker: Remove test_scaling, it got replaced by test_performance	2021-03-11 21:23:57 +01:00
Ole Schütt	7e3e805948	Docker: Fix missing timings in plot_performance.py	2021-03-06 11:38:52 +01:00
Ole Schütt	f2d27513a6	Docker: Plot OpenMP timings individually instead of their ratio	2021-03-05 18:06:31 +01:00
Ole Schütt	3f85c3cb27	Docker: Add QS_single_node to performance test	2021-02-28 22:53:54 +01:00
Ole Schütt	a130d97bd8	Docker: Install golang for Python test	2021-02-23 19:33:33 +01:00
Ole Schütt	43a662790f	Docker: Add performance test	2021-02-18 21:03:28 +01:00
Ole Schütt	d59a3ad777	Format all shell scripts	2021-02-18 00:33:20 +01:00