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Recent Commits

Re-enable PEXSI for GCC >1...
git:c7726cf
Matthias Krack 1.0h ago.

Update OpenMPI leak suppre...
git:f37a53a
Matthias Krack 5.6h ago.

QS: keep MO dimensions con...
git:d1d1a05
Egor Trushin 10.8h ago.

QS: enable RI-HFX for GAPW...
git:0ace4db
Egor Trushin 10.8h ago.

CELL_OPT: fix DORGQR works...
git:9ef1a4e
s8ga 10.9h ago.

Remove obsolete xrootd lea...
git:b024824
Matthias Krack 14.5h ago.

QS: consolidated quantizat...
git:edaa7f1
Hans Pabst 16.4h ago.

Unify AO density history f...
git:2509026
RTChou76 20.8h ago.

Unify XC matrix constructi...
git:a3baa5e
RTChou76 25.6h ago.

Handle all AO density imag...
git:6319166
RTChou76 26.1h ago.

More...

Test Coverage
Discontinued Tests
Supported compilers
NameHostStatusCommitSummaryLast OK
CSCS Daint (psmp)Alps Daint (CSCS)FAILEDb024824 (-5)correct: 6627 / 6640; wrong: 11; failed: 2; 4min47b47fb (-212)
CSCS Daint (psmp, H100)Alps Daint (CSCS)FAILEDb024824 (-5)correct: 6656 / 6668; wrong: 11; failed: 1; 61min9ed1a31 (-220)
CSCS Eiger (ssmp)Alps Eiger (CSCS)FAILEDb024824 (-5)correct: 6537 / 6545; wrong: 8; 5minbc42819 (-26)
CSCS Eiger (psmp)Alps Eiger (CSCS)FAILEDb024824 (-5)correct: 6635 / 6643; wrong: 8; 9minbc42819 (-26)
PrecommitHZDROKc7726cf (0)Found 9787, skipped 0, checked 9787, and failed 0 files.
MiscHZDROKc7726cf (0)Miscellaneous tests passed
Coding conventionsHZDROKc7726cf (0)Found 0 issues (196 suppressed) (cached)
Spack (psmp, conventions)HZDROKb024824 (-5)Found 0 issues (195 suppressed)
Current Toolchain (pdbg)HZDROKf37a53a (-1)correct: 6655 / 6655; 27min (cached)
Current Toolchain (psmp)HZDRFAILEDb024824 (-5)correct: 6640 / 6648; wrong: 8; 34minbc42819 (-26)
Current Toolchain (sdbg)HZDROKc7726cf (0)correct: 6558 / 6558; 18min
Current Toolchain (ssmp)HZDRFAILEDb024824 (-5)correct: 5181 / 5232; wrong: 9; failed: 42; 16min37370f3 (-33)
Spack (pdbg)HZDRUNKNOWNN/AError while parsing report.0761fd1 (-10)
Spack (sdbg)HZDROKb024824 (-5)correct: 6544 / 6544; 13min
Ubuntu, GCC 16 (ssmp)HZDRFAILEDb024824 (-5)correct: 4946 / 4955; wrong: 8; failed: 1; 13min123285f (-36)
Ubuntu, GCC 15 (ssmp)HZDRFAILEDb024824 (-5)correct: 4946 / 4955; wrong: 8; failed: 1; 13min37370f3 (-33)
Ubuntu, GCC 14 (ssmp)HZDRFAILEDb024824 (-5)correct: 4946 / 4955; wrong: 8; failed: 1; 15min37370f3 (-33)
Ubuntu, GCC 13 (ssmp)HZDRFAILEDb024824 (-5)correct: 4946 / 4955; wrong: 8; failed: 1; 18min37370f3 (-33)
Ubuntu, GCC 12 (ssmp)HZDRFAILEDb024824 (-5)correct: 4946 / 4955; wrong: 8; failed: 1; 13min37370f3 (-33)
Ubuntu, GCC 11 (ssmp)HZDRFAILEDb024824 (-5)correct: 4946 / 4955; wrong: 8; failed: 1; 18min37370f3 (-33)
Ubuntu, GCC 10 (ssmp)HZDRFAILEDb024824 (-5)correct: 4946 / 4955; wrong: 8; failed: 1; 13min37370f3 (-33)
Ubuntu, GCC 9 (ssmp)HZDRFAILEDb024824 (-5)correct: 4946 / 4955; wrong: 8; failed: 1; 14min37370f3 (-33)
Minimal buildHZDRFAILEDb024824 (-5)Compilation failed37370f3 (-33)
CoverageHZDROKb024824 (-5)correct: 6648 / 6648; 26min
Spack (psmp, coverage)HZDROKb024824 (-5)correct: 6643 / 6643; 20min
Manual generationHZDROKb024824 (-5)Manual generation works fine.
Doxygen generationHZDROKb024824 (-5)Doxygen generation works fine.
ASE CalculatorHZDROKb024824 (-5)ASE commit a8742a7 works fine.
Spack (psmp, ASE)HZDROKb024824 (-5)ASE commit a8742a7 works fine
Direct Python interfaceHZDROKb024824 (-5)Direct Python interface type checks and tests passed.
AiiDA-CP2K PluginHZDROKb024824 (-5)aiida-cp2k commit f66bd3c works fine.
i-PiHZDROKb024824 (-5)i-Pi commit 93162d2 works fine.
PhonopyHZDROKb024824 (-5)Phonopy commit 469481e works fine.
Gromacs QM/MMHZDROKb024824 (-5)Gromacs commit 1210900 works fine.
Spack (psmp, GROMACS)HZDROKb024824 (-5)GROMACS commit 1ede011 works fine
Spack (psmp, performance OpenMP)HZDROKb024824 (-5)Performance test took 62 minutes.
Performance OpenMPHZDROKb024824 (-5)Performance test took 108 minutes.
Performance CUDA AmpereGCPOKb024824 (-5)Performance test took 79 minutes.
ARM64GCPFAILEDb024824 (-5)correct: 6472 / 6484; wrong: 11; failed: 1; 45min47b47fb (-212)
macOS on Apple M1 (psmp)MacStadiumFAILEDb024824 (-5)correct: 6629 / 6641; wrong: 11; failed: 1; 67min47b47fb (-212)
Spack (ssmp, CUDA A40)GCPFAILEDb024824 (-5)correct: 6561 / 6570; wrong: 8; failed: 1; 57min37370f3 (-33)
Spack (psmp, CUDA A40)GCPFAILEDb024824 (-5)correct: 6662 / 6670; wrong: 8; 116minbc42819 (-26)
Spack (psmp, CUDA A40, cuSOLVERMp)GCPFAILEDb024824 (-5)correct: 6398 / 6406; wrong: 8; 78minN/A
cuSOLVERMp (4 V100, 4 MPI x 4 OMP)SAIOKb024824 (-5)9 cases passed; 6 cuSOLVERMp paths verified
CUDA Ampere (psmp)GCPFAILEDb024824 (-5)correct: 6304 / 6314; wrong: 8; failed: 2; 95minN/A
HIP ROCm build (psmp)HZDROKb024824 (-5)Compilation works fine.
GNU + MKL (ssmp)UZHFAILEDb024824 (-5)correct: 5320 / 5371; wrong: 8; failed: 43; 11minN/A
GNU + MKL (psmp)UZHFAILEDb024824 (-5)correct: 5392 / 5443; wrong: 8; failed: 43; 24min37370f3 (-33)
Intel oneAPI (ssmp, ifx)UZHFAILEDb024824 (-5)Compilation faileda0d6e0f (-419)
Intel oneAPI (psmp, ifx)UZHFAILEDb024824 (-5)Compilation failed6d276e9 (-417)
Intel oneAPI (ssmp, ifort)UZHFAILEDb024824 (-5)Compilation failed2990480 (-533)
Intel oneAPI (psmp, ifort)UZHFAILEDb024824 (-5)Container build had non-zero exit status.55d68b5 (-528)
Spack (ssmp)HZDRFAILEDb024824 (-5)correct: 6537 / 6545; wrong: 8; 12minbc42819 (-26)
Spack (ssmp-static)HZDRFAILEDb024824 (-5)correct: 6356 / 6364; wrong: 8; 19minbc42819 (-26)
Spack (OpenMPI, psmp)HZDRFAILEDb024824 (-5)correct: 6635 / 6643; wrong: 8; 24minbc42819 (-26)
Spack (OpenMPI, pdbg)HZDROKb024824 (-5)correct: 6642 / 6642; 30min
OpenMPI Toolchain (psmp)HZDRFAILEDb024824 (-5)correct: 6640 / 6648; wrong: 8; 35minbc42819 (-26)
Generic Toolchain (psmp)HZDRFAILEDb024824 (-5)correct: 6498 / 6499; wrong: 1; 36min0761fd1 (-10)
4 MPI ranks (psmp)HZDRFAILEDb024824 (-5)correct: 6645 / 6657; wrong: 11; failed: 1; 28min6c46d74 (-636)
Spack (psmp, 4x2)HZDRFAILEDb024824 (-5)correct: 6639 / 6652; wrong: 12; failed: 1; 40min55d68b5 (-528)
Fedora Toolchain (psmp)HZDRFAILEDb024824 (-5)correct: 6640 / 6648; wrong: 8; 51minbc42819 (-26)
Rawhide Toolchain (pdbg)HZDRFAILEDb024824 (-5)correct: 6647 / 6647; slow: 1; 41min37370f3 (-33)
Spack (pdbg, rawhide)HZDROKb024824 (-5)correct: 6642 / 6642; 20min
Spack (psmp, fedora)HZDRFAILEDb024824 (-5)correct: 6635 / 6643; wrong: 8; 23minbc42819 (-26)
Spack (psmp, rockylinux)HZDRFAILEDb024824 (-5)correct: 6639 / 6647; wrong: 8; 22minbc42819 (-26)
Spack (psmp, opensuse)HZDRFAILEDb024824 (-5)correct: 6635 / 6643; wrong: 8; 25minbc42819 (-26)
Spack (psmp, GCC 16)HZDRFAILEDb024824 (-5)correct: 6635 / 6643; wrong: 8; 39minbc42819 (-26)
Spack (psmp, GCC 15)HZDRFAILEDb024824 (-5)correct: 6635 / 6643; wrong: 8; 27minbc42819 (-26)
Spack (psmp, GCC 14)HZDRFAILEDb024824 (-5)correct: 6635 / 6643; wrong: 8; 28minbc42819 (-26)
Spack (psmp, GCC 13)HZDRFAILEDb024824 (-5)correct: 6635 / 6643; wrong: 8; 20min37370f3 (-33)
Spack (psmp, GCC 12)HZDRFAILEDb024824 (-5)Container build had non-zero exit status.37370f3 (-33)
Spack (psmp, GCC 11)HZDRFAILEDb024824 (-5)Container build had non-zero exit status.e90df42 (-94)
Spack (psmp, GCC 10)HZDRFAILEDb024824 (-5)correct: 6487 / 6495; wrong: 8; 21min37370f3 (-33)
Address SanitizerHZDROKb024824 (-5)correct: 6632 / 6632; 107min

Page last updated: 2026-11-08T13:35:18+00:00