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CommitStatusSummaryAuthorCommit Message
a95c655 / 18487 (0)OKASE commit 55dc1290 works fine.Ole Schuettadjust tolerance
48218cf / 18486 (-1)OKASE commit 3d8c599b works fine.Juerg HutterAtom output: align values
48d6556 / 18485 (-2)OKASE commit ebb9ac96 works fine.Vladimir Rybkinembedding: cleanup and defaults
de029cf / 18484 (-3)Harald ForbertFix for crash if incompatible options are given to PIMD code [Felix Uhl, Harald Forbert, Christoph Schran, Fabien Brieu, Ondrej Marsalek]
4f300e1 / 18483 (-4)Vladimir Rybkinregularization on the grid added and unused keyword removed
ac96696 / 18482 (-5)OKASE commit 7dd97d62 works fine.Alfio LazzaroAvoid error when the reference is zero
1c7cf9c / 18481 (-6)OKASE commit 0afc7937 works fine.Ole SchuettHandle missing default logger and timer_env gracefully
9054989 / 18480 (-7)Alfio Lazzarorevert commit by reintroducing comm count check in MPI (Ole's request)
5cfcde9 / 18479 (-8)Alfio LazzaroRemove checks on number of communicators, we cannot assume that mpiwrap is always used
ae31788 / 18478 (-9)OKASE commit 922ae2bf works fine.Ole Schuetttypo
1ca4735 / 18477 (-10)Ole Schuettmanual: change links to github
0d890f2 / 18476 (-11)Sergey ChulkovTDDFPT oscillator strengths based on Berry phase formula
fe99b3f / 18475 (-12)Matthias KrackUpdate arch files to libxsmm 1.9
7909585 / 18471 (-13)OKASE commit 922ae2bf works fine.Matthias KrackIncrement CP2K development version number
8a4e30e / 18469 (-14)Matthias KrackUpdate arch files for static compilation
18c586e / 18468 (-15)Matthias KrackUpdate release number
eb1a625 / 18466 (-16)Matthias KrackAdd option for new manual
30dcd3d / 18461 (-17)OKASE commit d848fb97 works fine.Ole Schuettdocker: fix aiida test (2nd attempt)
29fb00d / 18460 (-18)OKASE commit 25c8e667 works fine.Ole Schuettdocker: allow passing TESTOPTS
82693ee / 18459 (-19)Ole Schuettdocker: fix aiida test
7f81bb0 / 18458 (-20)OKASE commit fee52e9a works fine.Alfio LazzaroAdd private to dbcsr_tensor_api
17944ec / 18457 (-21)OKASE commit fee52e9a works fine.Alfio LazzaroUpdate dbcsr_tensor_api with missing modules
cbd2c61 / 18456 (-22)Patrick SeewaldDBCSR tensors: API module
c16b260 / 18455 (-23)Patrick SeewaldDBCSR tensors: support splitting of blocks
1fd11c0 / 18454 (-24)OKASE commit 94623031 works fine.Alfio LazzaroFix bug #55 reported by Vittorio Zecca
3c875b8 / 18453 (-25)OKASE commit 908a8a58 works fine.Ole Schuettpexsi: ignore floating point exceptions
90a9df5 / 18452 (-26)Ole Schuettadjust tolerance
fb3f8c8 / 18451 (-27)OKASE commit 7c29a7ff works fine.Ole Schuetttoolchain: remove shifter compatibility attempts
ae0f6de / 18450 (-28)Ole Schuettadjust tolerances
0895fbe / 18449 (-29)Ole Schuettdo_regtest: fix farming
6e37622 / 18448 (-30)Ole Schuettadjust tolerance
2607bc2 / 18447 (-31)Ole Schuettfix flaky test
7301e70 / 18446 (-32)OKASE commit 1d0b0edb works fine.Matthias KrackAdd dirout flag and fix fallback to normal copy
51220c4 / 18445 (-33)OKASE commit 1d0b0edb works fine.Alfio Lazzaroupdate makefile dep to P100 kernels
475997c / 18444 (-34)OKASE commit 400d070d works fine.Alfio Lazzaroupdate pexpsi in toolchain
7ac915c / 18443 (-35)Ole Schuettadjust tolerance
3a8a345 / 18442 (-36)Ole Schuetttoolchain: Add LeakSanitizer suppression rule for SuperLU
f8c8081 / 18441 (-37)OKASE commit c078a8ca works fine.Alfio Lazzaroinclude GCC 8.1 checksum
72f4816 / 18440 (-38)OKASE commit 3e14006e works fine.Ole Schuetttoolchain: Reduce performance hit from LeakSanitizer fast_unwind_on_malloc=0
90a68df / 18439 (-39)Ole Schuettdocker: Fix AiiDA test
108e6f0 / 18438 (-40)Ole Schuettdocker: Fix ThreadSanitizer
a85b493 / 18437 (-41)Ole Schuetttoolchain: Add LeakSanitizer suppression rule for bug in GCC 7.3
e0e77e3 / 18436 (-42)OKASE commit 3e14006e works fine.Ole SchuettConventions: adapt analyze_gfortran_ast.py to GCC 7.3
80c1e59 / 18435 (-43)Ole Schuetttoolchain: Except make from docker imgage because of glibc issue.
2b7a921 / 18434 (-44)Alfio Lazzaroupdate toolchain, including GCC 7.3, libxsmm-1.9
fdd67b0 / 18433 (-45)Alfio Lazzaroavoid unsed parameters for __NO_STATM_ACCESS
70e9cc9 / 18432 (-46)OKASE commit 3e14006 works fine.Ole Schuettfix typo in dashboard.conf
cbaaf2d / 18431 (-47)Ole Schuetti-Pi: Use only IPv4
afdc0c2 / 18430 (-48)Iain BethuneBugfix wrong intent (#54, Vittorio Zecca) and fix some comment typos
d3574e6 / 18429 (-49)OKASE commit 95cda3a works fine.Ole Schuettadjust tolerances
b9a2c38 / 18428 (-50)Juerg HutterAtom pseudopotential fit: reduce output
5530b55 / 18427 (-51)Ole Schuettdo_regtest: use nproc instead of nproc --all as default
612ddf8 / 18426 (-52)Ole SchuettMakefile: move compilation for foreground test into do_regtest
a3dc15d / 18425 (-53)Vladimir Rybkinenable energy calculation with external embedding potential
0b1d4cf / 18424 (-54)OKASE commit 91aba0a works fine.Ole SchuettDashboard: Move some of s03 tests to GCP, disable rest for now.
cf50b84 / 18423 (-55)Iain BethuneUpdate reference values to account for previous fix
c210a60 / 18422 (-56)Iain BethuneBugfix (Vittorio Zecca, #53)
03c83de / 18421 (-57)OKASE commit 91aba0a works fine.Samuel Andermattmake handling of steps/max_steps consistent between rtp and MD
d42503a / 18420 (-58)Juerg HutterAtom pseudopotential fit output: additional info
c083550 / 18419 (-59)Sergey ChulkovNEGF: contact-specific temperature, correct shift and scale factors
611f152 / 18418 (-60)Juerg HutterAdd scaling parameter to input for pseudopotential optimization
f46a915 / 18417 (-61)OKASE commit 12afd62 works fine.Vladimir Rybkinembedding restart from cubes
169a6b5 / 18416 (-62)Matthias KrackUpdate PSI regression tester
a43eb9f / 18415 (-63)OKASE commit c07a341 works fine.Ole SchuettInput Description Change (Fabian Belleflamme)
4cf2a02 / 18414 (-64)Ole SchuettInput Description Change (Christoph Gorgulla)
f9e2c6b / 18413 (-65)Ole SchuettInput Description Change (Leopold Talirz)
edaea69 / 18412 (-66)OKASE commit 885d404 works fine.Harald Forbertbug fixes in helium init to avoid undefined behaviour [Felix Uhl]
66ed4fb / 18411 (-67)Alfio Lazzaroincrease tol
032abe5 / 18410 (-68)Harald ForbertUseful initialization for helium droplet simulations, as well as refinement on metropolis acceptance for out of droplet steps [Felix Uhl]
3dbce3f / 18409 (-69)OKASE commit 885d404 works fine.Ole SchuettDocker: Add separate build_test.sh
06cdcfa / 18408 (-70)Ole SchuettDashboard: Fix valgrind test name
c8d5565 / 18407 (-71)Ole SchuettDashboard: ready generate_regtest_survey.py for git
2473e4e / 18406 (-72)OKASE commit 384cd69 works fine.Ole SchuettDocker: Add even more valgrind tests
a7e72d1 / 18405 (-73)Ole SchuettDocker: Add valgrind tests
296eaf4 / 18404 (-74)Ole SchuettDashboard: Add reports cache, fix parsing of multiple status lines
c287d56 / 18403 (-75)Ole Schuettdocker: Add various tests
c0a8fff / 18402 (-76)OKASE commit b7711d3 works fine.Matthias KrackAdd math functions Erf and Erfc to fparser
421e381 / 18401 (-77)OKASE commit b7711d3 works fine.Ole Schuetti-Pi: Fix memory leak
3e5098d / 18400 (-78)Ole Schuettdocker: fix relative path
07c339a / 18399 (-79)OKASE commit b7711d3 works fine.Ole SchuettDashboard: Add simple test for i-Pi (checks only exist codes)
db233a5 / 18398 (-80)Ole SchuettMove infra to tools/docker
7bbe8c6 / 18397 (-81)Ole Schuettinfra: Optimize for docker build cache
774ecd7 / 18396 (-82)Juerg HutterRemove unused parameter
9880f4e / 18395 (-83)Juerg HutterNew objective function for pseudopotential optimization, reset regtests
cbdecb8 / 18394 (-84)H. Bani-Hashemiancsr matrices in terms of pao basis.
b8e139c / 18393 (-85)OKASE commit 7d63f2f works fine.Vladimir RybkinRESP charges with MP2
6ec9c3f / 18392 (-86)Ole SchuettUpdate Iain's email
88940f6 / 18391 (-87)OKASE commit da1ed79 works fine.Alfio Lazzaroupdate ref for CCE tests
3017536 / 18390 (-88)Ole SchuettDashboard: One more notification fix
eba01ef / 18389 (-89)Ole SchuettDashboard: Fix notifications
49ef875 / 18388 (-90)OKASE commit da1ed79 works fine.Ole SchuettDashboard: Ensure reports have any commit info
d1189ee / 18387 (-91)Ole SchuettDashboard: Tidy up formatting
02931fb / 18386 (-92)Ole SchuettDashboard: Fix parsing of git sha
b06c8cb / 18385 (-93)Ole Schuettinfra: speedup test by precomputing during docker build
5ebf8ac / 18384 (-94)OKASE commit da1ed79 works fine.Nico HolmbergInput: Fix generation of HTML
63b47de / 18383 (-95)OKASE commit da1ed79 works fine.Ole SchuettDashboard: Fix decoding issues
feacb01 / 18382 (-96)Ole SchuettDashboard: Add git support
d62ec62 / 18381 (-97)OKASE commit d3d63ae works fine.Matthias KrackAdd new keyword for occupation control with DFT+U
34da686 / 18380 (-98)OKASE commit 94863e7 works fine.Alfio LazzaroRemove old description of dbcsr_testing.py
1b9f704 / 18379 (-99)Alfio LazzaroFix Makefile problem for .f90 files

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Page last updated: 2018-06-25T07:30:27