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Recent Commits

Apply popt/sopt symlinks t...
git:6768d83
SY Wang 11.7h ago.

Rewrite documentation of m...
git:c1bf279
SY Wang 11.8h ago.

Libint required for regtes...
git:8c09d75
SY Wang 18.0h ago.

Revise static build (#5261)
git:5a6c0a7
Matthias Krack 20.2h ago.

Add q-vSZPs tight-binding ...
git:92c5e5e
Dynamics of Condensed Matter 21.9h ago.

Allow FIT line search mode...
git:bcc6cf9
SY Wang 23.5h ago.

GauXC: use finite-differen...
git:418b37c
Dynamics of Condensed Matter 25.6h ago.

GauXC: improve molecular O...
git:919a8b9
Dynamics of Condensed Matter 35.5h ago.

Motion: Remove &CELL_OPT/T...
git:61e2520
Ole Schütt 41.8h ago.

Add Adaptively Compressed ...
git:1581497
Ritama Kar 42.8h ago.

More...

Test Coverage
Discontinued Tests
Supported compilers
NameHostStatusCommitSummaryLast OK
CSCS Daint (psmp)Alps Daint (CSCS)FAILED6768d83 (0)correct: 5464 / 5465; failed: 1; 9min4733e3f (-115)
CSCS Daint (psmp, H100)Alps Daint (CSCS)FAILED6768d83 (0)correct: 5127 / 5180; wrong: 6; failed: 47; 36minN/A
CSCS Eiger (ssmp)Alps Eiger (CSCS)OK6768d83 (0)correct: 5376 / 5376; 5min
CSCS Eiger (psmp)Alps Eiger (CSCS)FAILED6768d83 (0)correct: 5463 / 5465; failed: 2; 9mincccd2f3 (-111)
PrecommitGCPOK6768d83 (0)Found 8685, skipped 0, checked 8685, and failed 0 files.
Coding conventionsGCPFAILED6768d83 (0)Found 10 issues (283 suppressed)9781f73 (-93)
Spack (pdbg)GCPOK6768d83 (0)correct: 5468 / 5468; 52min
Spack (sdbg)GCPFAILED6768d83 (0)correct: 5381 / 5383; wrong: 2; 12minf658ef2 (-24)
Current Toolchain (pdbg)GCPOK6768d83 (0)correct: 5489 / 5489; 35min
Current Toolchain (psmp)GCPOK6768d83 (0)correct: 5490 / 5490; 25min
Current Toolchain (sdbg)GCPFAILED6768d83 (0)correct: 5401 / 5404; failed: 3; slow: 4; 19mina58acb6 (-51)
Spack (ssmp-static)GCPOK6768d83 (0)correct: 5350 / 5350; 9min
Current Toolchain (ssmp)GCPFAILED6768d83 (0)correct: 5405 / 5406; failed: 1; 14min36a0d11 (-12)
Spack (ssmp)GCPFAILED6768d83 (0)correct: 5383 / 5384; failed: 1; 9min358cae4 (-33)
Spack (OpenMPI, psmp)GCPOK6768d83 (0)correct: 5469 / 5469; 15min
Spack (OpenMPI, pdbg)GCPOK6768d83 (0)correct: 5468 / 5468; 53min
Ubuntu, GCC 16 (ssmp)GCPOK6768d83 (0)correct: 4046 / 4046; 8min
Ubuntu, GCC 15 (ssmp)GCPOK6768d83 (0)correct: 4046 / 4046; 8min
Ubuntu, GCC 14 (ssmp)GCPOK6768d83 (0)correct: 4046 / 4046; 9min
Ubuntu, GCC 13 (ssmp)GCPOK6768d83 (0)correct: 4046 / 4046; 10min
Ubuntu, GCC 12 (ssmp)GCPOK6768d83 (0)correct: 4046 / 4046; 10min
Ubuntu, GCC 11 (ssmp)GCPOK6768d83 (0)correct: 4046 / 4046; 10min
Ubuntu, GCC 10 (ssmp)GCPOK6768d83 (0)correct: 4046 / 4046; 9min
Ubuntu, GCC 9 (ssmp)GCPOK6768d83 (0)correct: 4046 / 4046; 9min
Ubuntu, GCC 8 (ssmp)GCPFAILED6768d83 (0)correct: 4044 / 4046; wrong: 1; failed: 1; 11minb3d087c (-120)
Minimal buildGCPOK6768d83 (0)correct: 3019 / 3019; 6min
CoverageGCPOK6768d83 (0)correct: 5490 / 5490; 19min
Manual generationGCPOK6768d83 (0)Manual generation works fine.
Doxygen generationGCPOK6768d83 (0)Doxygen generation works fine.
ASE CalculatorGCPOK6768d83 (0)ASE commit 2ab4aab works fine.
AiiDA-CP2K PluginGCPOK6768d83 (0)aiida-cp2k commit c6b973e works fine.
i-PiGCPOK6768d83 (0)i-Pi commit b23ca70 works fine.
PhonopyGCPOK6768d83 (0)Phonopy commit 05fd388 works fine.
Gromacs QM/MMGCPOK6768d83 (0)Gromacs commit 0eaa035 works fine.
MiscGCPOK6768d83 (0)Miscellaneous tests passed
Performance OpenMPGCPOK6768d83 (0)Performance test took 43 minutes.
Performance CUDA VoltaGCPFAILED6768d83 (0)Compilation failedd43dca4 (-52)
ARM64GCPFAILED6768d83 (0)Compilation failed358cae4 (-33)
macOS on Apple M1 (psmp)MacStadiumOK6768d83 (0)correct: 5473 / 5473; 98min
Spack (ssmp, CUDA P100)GCPFAILEDc0b4819 (-15)correct: 5370 / 5384; wrong: 4; failed: 10; 60minN/A
Spack (psmp, CUDA P100)GCPUNKNOWNN/AError while parsing report.N/A
CUDA Pascal (psmp)GCPFAILEDc0b4819 (-15)Compilation failedd79ec3f (-156)
HIP ROCm build (psmp)GCPOKc0b4819 (-15)Compilation works fine.
Intel oneAPI (ssmp, ifx)GCPFAILEDc0b4819 (-15)Docker build had non-zero exit status.d79ec3f (-156)
Intel oneAPI (psmp, ifx)GCPFAILED36a0d11 (-12)Docker build had non-zero exit status.59e0b9b (-184)
Intel oneAPI (ssmp, ifort)GCPFAILEDc0b4819 (-15)correct: 3014 / 3031; wrong: 1; failed: 16; 9mind79ec3f (-156)
Intel oneAPI (psmp, ifort)GCPFAILED36a0d11 (-12)Docker build had non-zero exit status.59e0b9b (-184)
OpenMPI Toolchain (psmp)GCPOKc0b4819 (-15)correct: 5480 / 5480; 24min
Fedora Toolchain (psmp)GCPOK36a0d11 (-12)correct: 5480 / 5480; 24min
Rawhide Toolchain (psmp)GCPFAILED36a0d11 (-12)correct: 5479 / 5480; wrong: 1; 25min46d6027 (-89)
Generic Toolchain (psmp)GCPFAILED36a0d11 (-12)correct: 5477 / 5478; failed: 1; 24min7ed86d1 (-366)
4 MPI ranks (psmp)GCPFAILEDc0b4819 (-15)correct: 5471 / 5481; wrong: 10; 22min80f3063 (-126)
Spack (psmp, 4x2)GCPFAILED36a0d11 (-12)correct: 4676 / 4744; wrong: 10; failed: 58; 28mindbde302 (-484)
Spack (psmp, rawhide)GCPUNKNOWNN/AError while parsing report.e704af8 (-125)
Spack (psmp, fedora)GCPUNKNOWNN/AError while parsing report.03cdb6f (-170)
Spack (psmp, rockylinux)GCPFAILED36a0d11 (-12)correct: 5474 / 5476; failed: 2; 20mine704af8 (-125)
Spack (psmp, opensuse)GCPFAILED36a0d11 (-12)correct: 897 / 955; wrong: 51; failed: 7; 4min03cdb6f (-170)
Spack (psmp, GCC 10)GCPFAILED36a0d11 (-12)Docker build had non-zero exit status.03cdb6f (-170)
Spack (psmp, GCC 11)GCPUNKNOWNN/AError while parsing report.e704af8 (-125)
Spack (psmp, GCC 12)GCPUNKNOWNN/AError while parsing report.e704af8 (-125)
Spack (psmp, GCC 13)GCPUNKNOWNN/AError while parsing report.N/A
Spack (psmp, GCC 14)GCPFAILED6768d83 (0)correct: 5468 / 5469; failed: 1; 17mine704af8 (-125)
Spack (psmp, GCC 15)GCPUNKNOWNN/AError while parsing report.e704af8 (-125)
Address SanitizerGCPOK36a0d11 (-12)correct: 5464 / 5464; 74min
Spack (psmp, GCC 16)GCPUNKNOWNN/AError while parsing report.N/A

Page last updated: 2026-05-23T09:20:15