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CommitStatusSummaryAuthorCommit Message
1403853 / 18605 (0)OKcorrect: 3021 / 3021; 34minJuerg HutterDisable k-point extrapolation tests
42853e6 / 18604 (-1)FAILEDcorrect: 3022 / 3024; wrong: 2; 33minIain BethuneRemove iceberg from the dashboard
519992a / 18603 (-2)FAILEDcorrect: 3022 / 3024; wrong: 2; 34minOle Schuettdocker: fix python test
3c5c073 / 18602 (-3)FAILEDcorrect: 3022 / 3024; wrong: 2; 30minNico HolmbergCube I/O: Prettify
b91fef2 / 18601 (-4)Nico HolmbergCube I/O: Add input option to disable MPI I/O
eaf6c94 / 18600 (-5)FAILEDcorrect: 3023 / 3024; wrong: 1; 29minOle SchuettDashboard: Reduce retrieval traffic further
52cf0c0 / 18599 (-6)FAILEDcorrect: 3022 / 3024; wrong: 2; 29minOle SchuettDashboard: Retrieve reports with ETag conditional request.
23828cf / 18598 (-7)FAILEDcorrect: 3023 / 3024; wrong: 1; 34minAlfio LazzaroUpdate FreeBSD arch files, PR on Github #14 by yurivict
d12e780 / 18597 (-8)FAILEDcorrect: 3022 / 3024; wrong: 2; 37minAlfio LazzaroAdd missing -lfftw3_omp to arch/FreeBSD-libint-gfortran.ssmp, Github PR #13 by yurivict
9283e14 / 18596 (-9)FAILEDcorrect: 3023 / 3024; wrong: 1; 37minAndreas GloeßRegtests: Remove duplicated test.
c57f293 / 18595 (-10)Andreas GloeßBugFix: Avoid conditional jump on uninitialized variable and adjust test tolerance.
68d8f3b / 18594 (-11)FAILEDcorrect: 3023 / 3024; wrong: 1; 30minJuerg HutterExtrapolation methods for k-points: USE_GUESS, LINEAR_P, USE_PREV_P, USE_PREV_RHO_R; 4 new regtests
1fb80a7 / 18593 (-12)OKcorrect: 3019 / 3019; 29minAlfio LazzaroTune tol
68a5c31 / 18592 (-13)OKcorrect: 3019 / 3019; 30minAlfio LazzaroAdjust tol
d41ced1 / 18591 (-14)Vladimir Rybkincoding standards
bbbbbde / 18590 (-15)OKcorrect: 3019 / 3019; 32minVladimir Rybkinprettify
40ca79f / 18589 (-16)Vladimir Rybkinembedding potential as simple grid in output
cb2f154 / 18588 (-17)OKcorrect: 3019 / 3019; 35minJuerg HutterMore STO expansions: now covers all ADF basis sets
0f4c2aa / 18587 (-18)OKcorrect: 3019 / 3019; 36minAlfio LazzaroDBCSR-Tensor: Make consistent release of the MPI comm within the DBCSR library
7b75bc1 / 18586 (-19)OKcorrect: 3019 / 3019; 34minIain BethuneFix intent
cc5bda0 / 18585 (-20)OKcorrect: 3019 / 3019; 29minAlfio LazzaroRemove Intel 17.0.1 regtest from the dashboard
5274fae / 18584 (-21)OKcorrect: 3019 / 3019; 30minSergey ChulkovFix TDDFPT oscillator strengths and print them in scientific format
d8e3e5b / 18583 (-22)OKcorrect: 3019 / 3019; 46minJuerg HutterQuickstep: STO-NG basis sets
17b929e / 18582 (-23)OKcorrect: 3019 / 3019; 30minOle SchuettDocument new SIRIUS and JSON flags.
d8fb9ce / 18581 (-24)OKcorrect: 3019 / 3019; 30minOle SchuettInput Description Change (Jinggang)
0a94ae0 / 18580 (-25)Ole SchuettFix url for DFT-D3
9a3aa42 / 18579 (-26)Ole Schuettlibcusmm: Add kernel parameters (Fabian Ducry)
0dac9b3 / 18578 (-27)OKcorrect: 3019 / 3019; 30minOle Schuettcuda: fix parameters_K20X.txt
32681a9 / 18577 (-28)OKcorrect: 3019 / 3019; 30minAlfio LazzaroUpdate the name of the test on the dashboard
4292ee0 / 18576 (-29)Alfio LazzaroFix ID of the dashboard test
d940153 / 18575 (-30)Alfio LazzaroAdd regtest with Intel 18.0.3 on Swan
3fd8b76 / 18574 (-31)Alfio LazzaroOne more fix to make Intel 18.0.3 working
8b576cc / 18573 (-32)Alfio LazzaroFix a bug in dbcsr API
ea254c0 / 18572 (-33)OKcorrect: 3019 / 3019; 30minHarald Forbertbugfix and cleanup [Felix Uhl]
89e9f9d / 18571 (-34)FAILEDcorrect: 3011 / 3019; wrong: 8; 32minOle Schuettdashboard: fix plot parsing
29ef78c / 18570 (-35)Ole Schuettdocker: add revision to coverage report
f12b6e8 / 18569 (-36)Ole Schuettdashboard: enable plots also for regtest reports
5488995 / 18568 (-37)FAILEDcorrect: 3011 / 3019; wrong: 8; 30minHarald ForbertUsing a thermal gaussian free particle distribution for initializing helium coordinates [Felix Uhl]
8b9675c / 18567 (-38)OKcorrect: 3018 / 3018; 30minOle Schuettdashboard: add plot to coverage test
8e6351d / 18566 (-39)OKcorrect: 3018 / 3018; 30minOle Schuettdashboard: re-enable coverage-pdbg, remove old entries
75a44a6 / 18565 (-40)OKcorrect: 3018 / 3018; 30minOle SchuettFix coverage tests.
52d741e / 18564 (-41)OKcorrect: 3018 / 3018; 30minAlfio LazzaroRemove specific CP2K functions from the DBCSR API
f0b2905 / 18563 (-42)OKcorrect: 3018 / 3018; 30minOle SchuettFix conventions
4b03f7d / 18562 (-43)OKcorrect: 3018 / 3018; 30minOle SchuettFix aiida-cp2k test
3219362 / 18561 (-44)OKcorrect: 3018 / 3018; 34minAlfio LazzaroRemove unsed variable
70635e4 / 18560 (-45)Alfio LazzaroFix bug due to misuse of MINLOC
a0dd7cb / 18559 (-46)OKcorrect: 3018 / 3018; 30minOle Schuettadjust tolerances
77fec4f / 18558 (-47)OKcorrect: 3018 / 3018; 31minOle Schuettconventions: ignore realloc-lhs warnings
cd1d425 / 18557 (-48)OKcorrect: 3018 / 3018; 32minOle SchuettWorkaround for uninitialized warning
8d14e14 / 18556 (-49)OKcorrect: 3018 / 3018; 29minOle Schuetttoolchain: remove -Werror=realloc-lhs-all from optimized builds as with GCC 8 it requires -finline-matmul-limit=0
c31529a / 18555 (-50)OKcorrect: 3018 / 3018; 31minJuerg HutterFirst step towards CP2K-SIRIUS interface Making PW DFT calculations available in CP2K (Mathieu Taillefumier and JGH)
bad037f / 18554 (-51)OKcorrect: 3018 / 3018; 31minOle Schuetttoolchain: Update to GCC 8.2.0
394b4b2 / 18553 (-52)OKcorrect: 3018 / 3018; 31minOle Schuettadjust tolerances
dd58135 / 18552 (-53)OKcorrect: 3018 / 3018; 30minJan Wilhelmfix
72fbda8 / 18551 (-54)Ole Schuettmanual: Remove revision from subpages
981d54f / 18550 (-55)Ole Schuettadjust tolerances
3045542 / 18549 (-56)FAILEDcorrect: 3000 / 3018; failed: 18; memleaks: 87; 29minJan Wilhelmk-points for low-scaling RPA. Todo before useful: (1) kpoints in HFX (2) Integrals for RI with attenuated Coulomb metric. Next plan: kpoints for low-scaling GW
4bd0020 / 18548 (-57)OKcorrect: 3016 / 3016; 29minOle SchuettDashboard: Add manual test.
e505045 / 18547 (-58)OKcorrect: 3016 / 3016; 29minOle SchuettDashboard: Add Ubuntu test.
b5ace9a / 18546 (-59)Ole Schuetttoolchain: assume system openblas is threaded, part 2
7f4f431 / 18545 (-60)OKcorrect: 3016 / 3016; 29minOle Schuetttoolchain: assume system openblas is threaded
40e9df6 / 18544 (-61)OKcorrect: 3016 / 3016; 29minOle Schuettdocker: harmonize working dirs
3f73782 / 18543 (-62)OKcorrect: 3016 / 3016; 29minOle Schuettdocker: Update toolchain also in non-regtest tests.
554fd37 / 18542 (-63)Ole Schuettdocker: Update toolchain before running tests.
43469e9 / 18541 (-64)OKcorrect: 3016 / 3016; 29minOle Schuettdo_regtest: Use normal copy when inside Docker
1dd5d65 / 18540 (-65)OKcorrect: 3016 / 3016; 29minOle Schuetttoolchain: Check age of lock file.
4e6ab2b / 18539 (-66)Ole Schuetttoolchain: Move package versions into install scripts.
0ed3158 / 18538 (-67)OKcorrect: 3016 / 3016; 30minOle Schuetttoolchain: always link libint statically
cd4d240 / 18537 (-68)OKcorrect: 3016 / 3016; 30minSergey ChulkovAbort with a meaningful message in case of int_8 overflow during ERI's compression
4213500 / 18536 (-69)Ole Schuetttoolchain: remove static libxsmm kernels
854c371 / 18535 (-70)OKcorrect: 3016 / 3016; 29minIain BethuneEnable all XC_GRID smoothing schemes for 2nd deriv calculations (polarisation, tddfpt)
00707cf / 18534 (-71)OKcorrect: 3016 / 3016; 29minAlfio LazzaroIncrease tol
1e138dd / 18533 (-72)OKcorrect: 3016 / 3016; 29minAlfio LazzaroRevert address_kind to file_offset for MPI-file related functions
2c4d43c / 18532 (-73)OKcorrect: 3016 / 3016; 29minMatthias KrackConsider the case that git is not installed
f7c98fa / 18531 (-74)OKcorrect: 3016 / 3016; 34minMatthias KrackPrint info if git version is too old
e9c6d58 / 18530 (-75)OKcorrect: 3016 / 3016; 45minMatthias KrackAdd git support (use flag -cp2kdir cp2k/cp2k with git if needed and -nogit to suppress git pull)
cada0bb / 18529 (-76)Iain BethuneTurn off WF_INTERPOLATION to stabilise regtest in parallel
676831f / 18528 (-77)OKcorrect: 3016 / 3016; 35minAlfio LazzaroExclude test wB97X-V is libxc is not available
2e0f0ae / 18527 (-78)OKcorrect: 3016 / 3016; 32minJuerg HutterCorrect mixed up scaling parameters in wB97X-V functional
8659334 / 18526 (-79)OKcorrect: 3016 / 3016; 33minJuerg HutterCorrect definition of wB97X-V functional in test (Yuezhi Mao)
578fe21 / 18525 (-80)OKcorrect: 3016 / 3016; 64minMatthias KrackUpdate description
6cbcb50 / 18524 (-81)OKcorrect: 3013 / 3016; new: 3; 29minMatthias KrackFix typos
a7379bb / 18523 (-82)OKcorrect: 3013 / 3016; new: 3; 29minAlfio LazzaroRestore QS/regtest-ot-1-vib test to be executed with multiple mpiranks
f6a52b3 / 18522 (-83)OKcorrect: 3016 / 3016; 29minIain BethuneRemove Juqueen regtest, machine has been decommissioned...
4f545e6 / 18521 (-84)OKcorrect: 3016 / 3016; 49minAlfio Lazzarorestrict test to run in sequential only
7febd4a / 18520 (-85)OKcorrect: 3016 / 3016; 29minAlfio LazzaroUpdate tests and references to get stable results when multiple >2 ranks are used (thanks to Marcella I.)
d97a567 / 18519 (-86)Marcella Mauri-Iannuzzidebug statement removed
5332106 / 18518 (-87)OKcorrect: 3016 / 3016; 47minAlfio LazzaroRestrict QS/regtest-ot-1-vib to nranks<4
0cb4207 / 18517 (-88)Alfio LazzaroAdd unit in Write
de63139 / 18516 (-89)OKcorrect: 3016 / 3016; 29minOle Schuetttoolchain: various small fixes
15a5f35 / 18515 (-90)OKcorrect: 3016 / 3016; 29minMarcella Mauri-Iannuzzi Regtests for the extension to the XAS code, by Axel Erbing.
282deac / 18514 (-91)Marcella Mauri-IannuzziExtension to the XAS code based on the Slater transition potential method. The extension allows multiple initial core excited states, of any type (s, p, d, ..). Code by Axel Erbung (Dep. Physics Stockholm)
86d8248 / 18513 (-92)OKcorrect: 3014 / 3014; 29minMatthias KrackSuppress useless output
71f7336 / 18512 (-93)OKcorrect: 3014 / 3014; 29minAlfio LazzaroMore tol tuning
b5d1838 / 18511 (-94)OKcorrect: 3014 / 3014; 29minAlfio LazzaroOne more tol tuning
65d78a7 / 18510 (-95)OKcorrect: 3014 / 3014; 29minMatthias KrackAdd reset file
bf943b4 / 18509 (-96)Alfio LazzaroFix divisions by zero
11cd3a3 / 18508 (-97)OKcorrect: 3014 / 3014; 29minMatthias KrackDrop -static flag to enable leak checking again
3bae093 / 18507 (-98)Alfio LazzaroAdjust tol
ed25be8 / 18506 (-99)Alfio LazzaroFix conventions

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Page last updated: 2018-09-21T09:30:24