Need Help?

LINUX_GNU-4.9.2_MKL-11.2.1.SOPT

Go back to main page

View full archive

CommitStatusSummaryAuthorCommit Message
4b3dcc0 / 18607 (0)Ole SchuettAdjust tolerances, stabilize PIMD test.
1ab4611 / 18606 (-1)OKcorrect: 3021 / 3021; 8minOle SchuettPAO: Add citation
1403853 / 18605 (-2)OKcorrect: 3021 / 3021; 7minJuerg HutterDisable k-point extrapolation tests
42853e6 / 18604 (-3)FAILEDcorrect: 3022 / 3024; wrong: 2; 6minIain BethuneRemove iceberg from the dashboard
519992a / 18603 (-4)FAILEDcorrect: 3022 / 3024; wrong: 2; 7minOle Schuettdocker: fix python test
3c5c073 / 18602 (-5)FAILEDcorrect: 3022 / 3024; wrong: 2; 7minNico HolmbergCube I/O: Prettify
b91fef2 / 18601 (-6)FAILEDcorrect: 3022 / 3024; wrong: 2; 8minNico HolmbergCube I/O: Add input option to disable MPI I/O
eaf6c94 / 18600 (-7)FAILEDcorrect: 3022 / 3024; wrong: 2; 7minOle SchuettDashboard: Reduce retrieval traffic further
52cf0c0 / 18599 (-8)FAILEDcorrect: 3022 / 3024; wrong: 2; 6minOle SchuettDashboard: Retrieve reports with ETag conditional request.
23828cf / 18598 (-9)FAILEDcorrect: 3022 / 3024; wrong: 2; 7minAlfio LazzaroUpdate FreeBSD arch files, PR on Github #14 by yurivict
d12e780 / 18597 (-10)FAILEDcorrect: 3022 / 3024; wrong: 2; 7minAlfio LazzaroAdd missing -lfftw3_omp to arch/FreeBSD-libint-gfortran.ssmp, Github PR #13 by yurivict
9283e14 / 18596 (-11)FAILEDcorrect: 3022 / 3024; wrong: 2; 6minAndreas GloeßRegtests: Remove duplicated test.
c57f293 / 18595 (-12)Andreas GloeßBugFix: Avoid conditional jump on uninitialized variable and adjust test tolerance.
68d8f3b / 18594 (-13)FAILEDcorrect: 3022 / 3024; wrong: 2; 7minJuerg HutterExtrapolation methods for k-points: USE_GUESS, LINEAR_P, USE_PREV_P, USE_PREV_RHO_R; 4 new regtests
1fb80a7 / 18593 (-14)OKcorrect: 3019 / 3019; 7minAlfio LazzaroTune tol
68a5c31 / 18592 (-15)OKcorrect: 3019 / 3019; 7minAlfio LazzaroAdjust tol
d41ced1 / 18591 (-16)Vladimir Rybkincoding standards
bbbbbde / 18590 (-17)OKcorrect: 3019 / 3019; 7minVladimir Rybkinprettify
40ca79f / 18589 (-18)OKcorrect: 3019 / 3019; 9minVladimir Rybkinembedding potential as simple grid in output
cb2f154 / 18588 (-19)OKcorrect: 3019 / 3019; 7minJuerg HutterMore STO expansions: now covers all ADF basis sets
0f4c2aa / 18587 (-20)OKcorrect: 3019 / 3019; 7minAlfio LazzaroDBCSR-Tensor: Make consistent release of the MPI comm within the DBCSR library
7b75bc1 / 18586 (-21)OKcorrect: 3019 / 3019; 7minIain BethuneFix intent
cc5bda0 / 18585 (-22)OKcorrect: 3019 / 3019; 7minAlfio LazzaroRemove Intel 17.0.1 regtest from the dashboard
5274fae / 18584 (-23)OKcorrect: 3019 / 3019; 7minSergey ChulkovFix TDDFPT oscillator strengths and print them in scientific format
d8e3e5b / 18583 (-24)OKcorrect: 3019 / 3019; 8minJuerg HutterQuickstep: STO-NG basis sets
17b929e / 18582 (-25)OKcorrect: 3019 / 3019; 7minOle SchuettDocument new SIRIUS and JSON flags.
d8fb9ce / 18581 (-26)OKcorrect: 3019 / 3019; 7minOle SchuettInput Description Change (Jinggang)
0a94ae0 / 18580 (-27)Ole SchuettFix url for DFT-D3
9a3aa42 / 18579 (-28)Ole Schuettlibcusmm: Add kernel parameters (Fabian Ducry)
0dac9b3 / 18578 (-29)OKcorrect: 3019 / 3019; 7minOle Schuettcuda: fix parameters_K20X.txt
32681a9 / 18577 (-30)OKcorrect: 3019 / 3019; 6minAlfio LazzaroUpdate the name of the test on the dashboard
4292ee0 / 18576 (-31)Alfio LazzaroFix ID of the dashboard test
d940153 / 18575 (-32)OKcorrect: 3019 / 3019; 7minAlfio LazzaroAdd regtest with Intel 18.0.3 on Swan
3fd8b76 / 18574 (-33)OKcorrect: 3019 / 3019; 7minAlfio LazzaroOne more fix to make Intel 18.0.3 working
8b576cc / 18573 (-34)OKcorrect: 3019 / 3019; 8minAlfio LazzaroFix a bug in dbcsr API
ea254c0 / 18572 (-35)OKcorrect: 3019 / 3019; 7minHarald Forbertbugfix and cleanup [Felix Uhl]
89e9f9d / 18571 (-36)OKcorrect: 3019 / 3019; 6minOle Schuettdashboard: fix plot parsing
29ef78c / 18570 (-37)OKcorrect: 3019 / 3019; 6minOle Schuettdocker: add revision to coverage report
f12b6e8 / 18569 (-38)Ole Schuettdashboard: enable plots also for regtest reports
5488995 / 18568 (-39)OKcorrect: 3019 / 3019; 7minHarald ForbertUsing a thermal gaussian free particle distribution for initializing helium coordinates [Felix Uhl]
8b9675c / 18567 (-40)OKcorrect: 3018 / 3018; 6minOle Schuettdashboard: add plot to coverage test
8e6351d / 18566 (-41)OKcorrect: 3018 / 3018; 6minOle Schuettdashboard: re-enable coverage-pdbg, remove old entries
75a44a6 / 18565 (-42)OKcorrect: 3018 / 3018; 6minOle SchuettFix coverage tests.
52d741e / 18564 (-43)OKcorrect: 3018 / 3018; 8minAlfio LazzaroRemove specific CP2K functions from the DBCSR API
f0b2905 / 18563 (-44)OKcorrect: 3018 / 3018; 6minOle SchuettFix conventions
4b03f7d / 18562 (-45)OKcorrect: 3018 / 3018; 6minOle SchuettFix aiida-cp2k test
3219362 / 18561 (-46)OKcorrect: 3018 / 3018; 6minAlfio LazzaroRemove unsed variable
70635e4 / 18560 (-47)OKcorrect: 3018 / 3018; 6minAlfio LazzaroFix bug due to misuse of MINLOC
a0dd7cb / 18559 (-48)OKcorrect: 3018 / 3018; 6minOle Schuettadjust tolerances
77fec4f / 18558 (-49)Ole Schuettconventions: ignore realloc-lhs warnings
cd1d425 / 18557 (-50)OKcorrect: 3018 / 3018; 6minOle SchuettWorkaround for uninitialized warning
8d14e14 / 18556 (-51)OKcorrect: 3018 / 3018; 6minOle Schuetttoolchain: remove -Werror=realloc-lhs-all from optimized builds as with GCC 8 it requires -finline-matmul-limit=0
c31529a / 18555 (-52)OKcorrect: 3018 / 3018; 9minJuerg HutterFirst step towards CP2K-SIRIUS interface Making PW DFT calculations available in CP2K (Mathieu Taillefumier and JGH)
bad037f / 18554 (-53)OKcorrect: 3018 / 3018; 6minOle Schuetttoolchain: Update to GCC 8.2.0
394b4b2 / 18553 (-54)OKcorrect: 3018 / 3018; 6minOle Schuettadjust tolerances
dd58135 / 18552 (-55)OKcorrect: 3018 / 3018; 7minJan Wilhelmfix
72fbda8 / 18551 (-56)OKcorrect: 3018 / 3018; 6minOle Schuettmanual: Remove revision from subpages
981d54f / 18550 (-57)Ole Schuettadjust tolerances
3045542 / 18549 (-58)OKcorrect: 3018 / 3018; 8minJan 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 (-59)OKcorrect: 3016 / 3016; 6minOle SchuettDashboard: Add manual test.
e505045 / 18547 (-60)OKcorrect: 3016 / 3016; 6minOle SchuettDashboard: Add Ubuntu test.
b5ace9a / 18546 (-61)OKcorrect: 3016 / 3016; 6minOle Schuetttoolchain: assume system openblas is threaded, part 2
7f4f431 / 18545 (-62)OKcorrect: 3016 / 3016; 6minOle Schuetttoolchain: assume system openblas is threaded
40e9df6 / 18544 (-63)OKcorrect: 3016 / 3016; 6minOle Schuettdocker: harmonize working dirs
3f73782 / 18543 (-64)OKcorrect: 3016 / 3016; 6minOle Schuettdocker: Update toolchain also in non-regtest tests.
554fd37 / 18542 (-65)OKcorrect: 3016 / 3016; 6minOle Schuettdocker: Update toolchain before running tests.
43469e9 / 18541 (-66)OKcorrect: 3016 / 3016; 6minOle Schuettdo_regtest: Use normal copy when inside Docker
1dd5d65 / 18540 (-67)OKcorrect: 3016 / 3016; 6minOle Schuetttoolchain: Check age of lock file.
4e6ab2b / 18539 (-68)OKcorrect: 3016 / 3016; 6minOle Schuetttoolchain: Move package versions into install scripts.
0ed3158 / 18538 (-69)OKcorrect: 3016 / 3016; 6minOle Schuetttoolchain: always link libint statically
cd4d240 / 18537 (-70)OKcorrect: 3016 / 3016; 6minSergey ChulkovAbort with a meaningful message in case of int_8 overflow during ERI's compression
4213500 / 18536 (-71)OKcorrect: 3016 / 3016; 6minOle Schuetttoolchain: remove static libxsmm kernels
854c371 / 18535 (-72)OKcorrect: 3016 / 3016; 6minIain BethuneEnable all XC_GRID smoothing schemes for 2nd deriv calculations (polarisation, tddfpt)
00707cf / 18534 (-73)OKcorrect: 3016 / 3016; 6minAlfio LazzaroIncrease tol
1e138dd / 18533 (-74)Alfio LazzaroRevert address_kind to file_offset for MPI-file related functions
2c4d43c / 18532 (-75)OKcorrect: 3016 / 3016; 6minMatthias KrackConsider the case that git is not installed
f7c98fa / 18531 (-76)OKcorrect: 3016 / 3016; 6minMatthias KrackPrint info if git version is too old
e9c6d58 / 18530 (-77)OKcorrect: 3016 / 3016; 6minMatthias KrackAdd git support (use flag -cp2kdir cp2k/cp2k with git if needed and -nogit to suppress git pull)
cada0bb / 18529 (-78)Iain BethuneTurn off WF_INTERPOLATION to stabilise regtest in parallel
676831f / 18528 (-79)OKcorrect: 3016 / 3016; 6minAlfio LazzaroExclude test wB97X-V is libxc is not available
2e0f0ae / 18527 (-80)OKcorrect: 3016 / 3016; 6minJuerg HutterCorrect mixed up scaling parameters in wB97X-V functional
8659334 / 18526 (-81)OKcorrect: 3016 / 3016; 6minJuerg HutterCorrect definition of wB97X-V functional in test (Yuezhi Mao)
578fe21 / 18525 (-82)OKcorrect: 3016 / 3016; 6minMatthias KrackUpdate description
6cbcb50 / 18524 (-83)OKcorrect: 3016 / 3016; 6minMatthias KrackFix typos
a7379bb / 18523 (-84)OKcorrect: 3016 / 3016; 6minAlfio LazzaroRestore QS/regtest-ot-1-vib test to be executed with multiple mpiranks
f6a52b3 / 18522 (-85)OKcorrect: 3016 / 3016; 6minIain BethuneRemove Juqueen regtest, machine has been decommissioned...
4f545e6 / 18521 (-86)OKcorrect: 3016 / 3016; 6minAlfio Lazzarorestrict test to run in sequential only
7febd4a / 18520 (-87)OKcorrect: 3016 / 3016; 6minAlfio LazzaroUpdate tests and references to get stable results when multiple >2 ranks are used (thanks to Marcella I.)
d97a567 / 18519 (-88)Marcella Mauri-Iannuzzidebug statement removed
5332106 / 18518 (-89)OKcorrect: 3016 / 3016; 6minAlfio LazzaroRestrict QS/regtest-ot-1-vib to nranks<4
0cb4207 / 18517 (-90)OKcorrect: 3016 / 3016; 6minAlfio LazzaroAdd unit in Write
de63139 / 18516 (-91)OKcorrect: 3016 / 3016; 6minOle Schuetttoolchain: various small fixes
15a5f35 / 18515 (-92)OKcorrect: 3016 / 3016; 8minMarcella Mauri-Iannuzzi Regtests for the extension to the XAS code, by Axel Erbing.
282deac / 18514 (-93)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 (-94)OKcorrect: 3014 / 3014; 6minMatthias KrackSuppress useless output
71f7336 / 18512 (-95)OKcorrect: 3014 / 3014; 6minAlfio LazzaroMore tol tuning
b5d1838 / 18511 (-96)OKcorrect: 3014 / 3014; 6minAlfio LazzaroOne more tol tuning
65d78a7 / 18510 (-97)OKcorrect: 3014 / 3014; 6minMatthias KrackAdd reset file
bf943b4 / 18509 (-98)OKcorrect: 3014 / 3014; 6minAlfio LazzaroFix divisions by zero
11cd3a3 / 18508 (-99)OKcorrect: 3014 / 3014; 6minMatthias KrackDrop -static flag to enable leak checking again

View full archive

Page last updated: 2018-09-21T10:30:25