Go back to main page
View full archive
| Commit | Status | Summary | Author | Commit Message |
|---|---|---|---|---|
| a95c655 / 18487 (0) | OK | correct: 3011 / 3011; 124min | Ole Schuett | adjust tolerance |
| 48218cf / 18486 (-1) | FAILED | correct: 1622 / 3011; failed: 1; 143min | Juerg Hutter | Atom output: align values |
| 48d6556 / 18485 (-2) | FAILED | correct: 2737 / 3011; failed: 1; 159min | Vladimir Rybkin | embedding: cleanup and defaults |
| de029cf / 18484 (-3) | Harald Forbert | Fix for crash if incompatible options are given to PIMD code [Felix Uhl, Harald Forbert, Christoph Schran, Fabien Brieu, Ondrej Marsalek] | ||
| 4f300e1 / 18483 (-4) | Vladimir Rybkin | regularization on the grid added and unused keyword removed | ||
| ac96696 / 18482 (-5) | OK | correct: 3011 / 3011; 110min | Alfio Lazzaro | Avoid error when the reference is zero |
| 1c7cf9c / 18481 (-6) | OK | correct: 3011 / 3011; 113min | Ole Schuett | Handle missing default logger and timer_env gracefully |
| 9054989 / 18480 (-7) | FAILED | correct: 2805 / 3011; failed: 1; 134min | Alfio Lazzaro | revert commit by reintroducing comm count check in MPI (Ole's request) |
| 5cfcde9 / 18479 (-8) | Alfio Lazzaro | Remove checks on number of communicators, we cannot assume that mpiwrap is always used | ||
| ae31788 / 18478 (-9) | Ole Schuett | typo | ||
| 1ca4735 / 18477 (-10) | Ole Schuett | manual: change links to github | ||
| 0d890f2 / 18476 (-11) | Sergey Chulkov | TDDFPT oscillator strengths based on Berry phase formula | ||
| fe99b3f / 18475 (-12) | FAILED | correct: 3010 / 3011; wrong: 1; 102min | Matthias Krack | Update arch files to libxsmm 1.9 |
| 7909585 / 18471 (-13) | OK | correct: 3011 / 3011; 98min | Matthias Krack | Increment CP2K development version number |
| 8a4e30e / 18469 (-14) | Matthias Krack | Update arch files for static compilation | ||
| 18c586e / 18468 (-15) | Matthias Krack | Update release number | ||
| eb1a625 / 18466 (-16) | Matthias Krack | Add option for new manual | ||
| 30dcd3d / 18461 (-17) | OK | correct: 3011 / 3011; 153min | Ole Schuett | docker: fix aiida test (2nd attempt) |
| 29fb00d / 18460 (-18) | FAILED | correct: 2744 / 3011; failed: 1; 132min | Ole Schuett | docker: allow passing TESTOPTS |
| 82693ee / 18459 (-19) | Ole Schuett | docker: fix aiida test | ||
| 7f81bb0 / 18458 (-20) | OK | correct: 3011 / 3011; 114min | Alfio Lazzaro | Add private to dbcsr_tensor_api |
| 17944ec / 18457 (-21) | OK | correct: 3011 / 3011; 175min | Alfio Lazzaro | Update dbcsr_tensor_api with missing modules |
| cbd2c61 / 18456 (-22) | Patrick Seewald | DBCSR tensors: API module | ||
| c16b260 / 18455 (-23) | Patrick Seewald | DBCSR tensors: support splitting of blocks | ||
| 1fd11c0 / 18454 (-24) | OK | correct: 3011 / 3011; 89min | Alfio Lazzaro | Fix bug #55 reported by Vittorio Zecca |
| 3c875b8 / 18453 (-25) | FAILED | correct: 2717 / 3011; failed: 1; 136min | Ole Schuett | pexsi: ignore floating point exceptions |
| 90a9df5 / 18452 (-26) | Ole Schuett | adjust tolerance | ||
| fb3f8c8 / 18451 (-27) | Ole Schuett | toolchain: remove shifter compatibility attempts | ||
| ae0f6de / 18450 (-28) | Ole Schuett | adjust tolerances | ||
| 0895fbe / 18449 (-29) | Ole Schuett | do_regtest: fix farming | ||
| 6e37622 / 18448 (-30) | Ole Schuett | adjust tolerance | ||
| 2607bc2 / 18447 (-31) | Ole Schuett | fix flaky test | ||
| 7301e70 / 18446 (-32) | OK | correct: 3011 / 3011; 102min | Matthias Krack | Add dirout flag and fix fallback to normal copy |
| 51220c4 / 18445 (-33) | OK | correct: 3011 / 3011; 85min | Alfio Lazzaro | update makefile dep to P100 kernels |
| 475997c / 18444 (-34) | Alfio Lazzaro | update pexpsi in toolchain | ||
| 7ac915c / 18443 (-35) | OK | correct: 3011 / 3011; 94min | Ole Schuett | adjust tolerance |
| 3a8a345 / 18442 (-36) | Ole Schuett | toolchain: Add LeakSanitizer suppression rule for SuperLU | ||
| f8c8081 / 18441 (-37) | OK | correct: 3011 / 3011; 94min | Alfio Lazzaro | include GCC 8.1 checksum |
| 72f4816 / 18440 (-38) | OK | correct: 3011 / 3011; 98min | Ole Schuett | toolchain: Reduce performance hit from LeakSanitizer fast_unwind_on_malloc=0 |
| 90a68df / 18439 (-39) | Ole Schuett | docker: Fix AiiDA test | ||
| 108e6f0 / 18438 (-40) | Ole Schuett | docker: Fix ThreadSanitizer | ||
| a85b493 / 18437 (-41) | Ole Schuett | toolchain: Add LeakSanitizer suppression rule for bug in GCC 7.3 | ||
| e0e77e3 / 18436 (-42) | OK | correct: 3011 / 3011; 100min | Ole Schuett | Conventions: adapt analyze_gfortran_ast.py to GCC 7.3 |
| 80c1e59 / 18435 (-43) | OK | correct: 3011 / 3011; 98min | Ole Schuett | toolchain: Except make from docker imgage because of glibc issue. |
| 2b7a921 / 18434 (-44) | OK | correct: 3011 / 3011; 93min | Alfio Lazzaro | update toolchain, including GCC 7.3, libxsmm-1.9 |
| fdd67b0 / 18433 (-45) | Alfio Lazzaro | avoid unsed parameters for __NO_STATM_ACCESS | ||
| 70e9cc9 / 18432 (-46) | Ole Schuett | fix typo in dashboard.conf | ||
| cbaaf2d / 18431 (-47) | Ole Schuett | i-Pi: Use only IPv4 | ||
| afdc0c2 / 18430 (-48) | OK | correct: 3011 / 3011; 97min | Iain Bethune | Bugfix wrong intent (#54, Vittorio Zecca) and fix some comment typos |
| d3574e6 / 18429 (-49) | OK | correct: 3011 / 3011; 105min | Ole Schuett | adjust tolerances |
| b9a2c38 / 18428 (-50) | Juerg Hutter | Atom pseudopotential fit: reduce output | ||
| 5530b55 / 18427 (-51) | Ole Schuett | do_regtest: use nproc instead of nproc --all as default | ||
| 612ddf8 / 18426 (-52) | Ole Schuett | Makefile: move compilation for foreground test into do_regtest | ||
| a3dc15d / 18425 (-53) | OK | correct: 3011 / 3011; 113min | Vladimir Rybkin | enable energy calculation with external embedding potential |
| 0b1d4cf / 18424 (-54) | OK | correct: 3010 / 3010; 95min | Ole Schuett | Dashboard: Move some of s03 tests to GCP, disable rest for now. |
| cf50b84 / 18423 (-55) | Iain Bethune | Update reference values to account for previous fix | ||
| c210a60 / 18422 (-56) | Iain Bethune | Bugfix (Vittorio Zecca, #53) | ||
| 03c83de / 18421 (-57) | OK | correct: 3010 / 3010; 101min | Samuel Andermatt | make handling of steps/max_steps consistent between rtp and MD |
| d42503a / 18420 (-58) | Juerg Hutter | Atom pseudopotential fit output: additional info | ||
| c083550 / 18419 (-59) | OK | correct: 3010 / 3010; 111min | Sergey Chulkov | NEGF: contact-specific temperature, correct shift and scale factors |
| 611f152 / 18418 (-60) | OK | correct: 3010 / 3010; 90min | Juerg Hutter | Add scaling parameter to input for pseudopotential optimization |
| f46a915 / 18417 (-61) | OK | correct: 3010 / 3010; 98min | Vladimir Rybkin | embedding restart from cubes |
| 169a6b5 / 18416 (-62) | Matthias Krack | Update PSI regression tester | ||
| a43eb9f / 18415 (-63) | OK | correct: 3009 / 3009; 98min | Ole Schuett | Input Description Change (Fabian Belleflamme) |
| 4cf2a02 / 18414 (-64) | Ole Schuett | Input Description Change (Christoph Gorgulla) | ||
| f9e2c6b / 18413 (-65) | Ole Schuett | Input Description Change (Leopold Talirz) | ||
| edaea69 / 18412 (-66) | OK | correct: 3009 / 3009; 89min | Harald Forbert | bug fixes in helium init to avoid undefined behaviour [Felix Uhl] |
| 66ed4fb / 18411 (-67) | Alfio Lazzaro | increase tol | ||
| 032abe5 / 18410 (-68) | Harald Forbert | Useful initialization for helium droplet simulations, as well as refinement on metropolis acceptance for out of droplet steps [Felix Uhl] | ||
| 3dbce3f / 18409 (-69) | OK | correct: 3009 / 3009; 95min | Ole Schuett | Docker: Add separate build_test.sh |
| 06cdcfa / 18408 (-70) | Ole Schuett | Dashboard: Fix valgrind test name | ||
| c8d5565 / 18407 (-71) | Ole Schuett | Dashboard: ready generate_regtest_survey.py for git | ||
| 2473e4e / 18406 (-72) | OK | correct: 3009 / 3009; 98min | Ole Schuett | Docker: Add even more valgrind tests |
| a7e72d1 / 18405 (-73) | Ole Schuett | Docker: Add valgrind tests | ||
| 296eaf4 / 18404 (-74) | Ole Schuett | Dashboard: Add reports cache, fix parsing of multiple status lines | ||
| c287d56 / 18403 (-75) | Ole Schuett | docker: Add various tests | ||
| c0a8fff / 18402 (-76) | OK | correct: 3009 / 3009; 84min | Matthias Krack | Add math functions Erf and Erfc to fparser |
| 421e381 / 18401 (-77) | OK | correct: 3009 / 3009; 98min | Ole Schuett | i-Pi: Fix memory leak |
| 3e5098d / 18400 (-78) | Ole Schuett | docker: fix relative path | ||
| 07c339a / 18399 (-79) | Ole Schuett | Dashboard: Add simple test for i-Pi (checks only exist codes) | ||
| db233a5 / 18398 (-80) | Ole Schuett | Move infra to tools/docker | ||
| 7bbe8c6 / 18397 (-81) | OK | correct: 3009 / 3009; 96min | Ole Schuett | infra: Optimize for docker build cache |
| 774ecd7 / 18396 (-82) | Juerg Hutter | Remove unused parameter | ||
| 9880f4e / 18395 (-83) | Juerg Hutter | New objective function for pseudopotential optimization, reset regtests | ||
| cbdecb8 / 18394 (-84) | H. Bani-Hashemian | csr matrices in terms of pao basis. | ||
| b8e139c / 18393 (-85) | OK | correct: 3009 / 3009; 101min | Vladimir Rybkin | RESP charges with MP2 |
| 6ec9c3f / 18392 (-86) | Ole Schuett | Update Iain's email | ||
| 88940f6 / 18391 (-87) | OK | correct: 3009 / 3009; 105min | Alfio Lazzaro | update ref for CCE tests |
| 3017536 / 18390 (-88) | Ole Schuett | Dashboard: One more notification fix | ||
| eba01ef / 18389 (-89) | Ole Schuett | Dashboard: Fix notifications | ||
| 49ef875 / 18388 (-90) | Ole Schuett | Dashboard: Ensure reports have any commit info | ||
| d1189ee / 18387 (-91) | Ole Schuett | Dashboard: Tidy up formatting | ||
| 02931fb / 18386 (-92) | Ole Schuett | Dashboard: Fix parsing of git sha | ||
| b06c8cb / 18385 (-93) | Ole Schuett | infra: speedup test by precomputing during docker build | ||
| 5ebf8ac / 18384 (-94) | Nico Holmberg | Input: Fix generation of HTML | ||
| 63b47de / 18383 (-95) | Ole Schuett | Dashboard: Fix decoding issues | ||
| feacb01 / 18382 (-96) | Ole Schuett | Dashboard: Add git support | ||
| d62ec62 / 18381 (-97) | OK | correct: 3009 / 3009; 94min | Matthias Krack | Add new keyword for occupation control with DFT+U |
| 34da686 / 18380 (-98) | OK | correct: 3009 / 3009; 122min | Alfio Lazzaro | Remove old description of dbcsr_testing.py |
| 1b9f704 / 18379 (-99) | Alfio Lazzaro | Fix Makefile problem for .f90 files |
View full archive
Page last updated: 2018-06-25T07:30:21