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branch: rosetta:commits 「№20621」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№241」
Merge: 「4e95d564d」← 「d99088634」  code diff
Scheduled at: 2025-01-08 14:34:52.979344
m1.clang.cxx11thread.serialization.python313.release.PyRosetta.Release mac.clang.cxx11thread.serialization.python313.release.PyRosetta.Release ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.Release linux.clang.cxx11thread.serialization.python310.release.PyRosetta.conda.Release linux.clang.cxx11thread.serialization.python311.release.PyRosetta.conda.Release linux.clang.cxx11thread.serialization.python312.release.PyRosetta.conda.Release linux.clang.cxx11thread.serialization.python38.release.PyRosetta.conda.Release linux.clang.cxx11thread.serialization.python39.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python310.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python311.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python312.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python39.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python310.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python311.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python312.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python38.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python39.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python310.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python311.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python312.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python38.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python39.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python312.release.rosetta.conda.release mac.clang.cxx11thread.serialization.python312.release.rosetta.conda.release ubuntu.clang.cxx11thread.serialization.python312.release.rosetta.conda.release

Pull Request №241 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/lyskov-patch-1 Merge: 4e95d564dc8b93fbe830018d2f295f3f69a70dfd←d9908863413d639c6fbbaf44422111eaa442fa01 removing "defaults" Conda channel in favor of "conda-forge" ---------------- Merge commit message: removing "defaults" Conda channel in favor of "conda-forge" Conda recently changed the licensing terms for they "defaults" channel so let use conda-forge instead.

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branch: rosetta:commits 「№20620」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№282」
Merge: 「26484dedf」← 「d0e78e8f3」  code diff
Scheduled at: 2024-12-18 18:50:44.576490
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №282 RosettaCommons/rosetta/main ← roccomoretti/rosetta/drug_design Merge: 26484dedf0f1404f3b8d60dcc4163af48455e793←d0e78e8f31a5db70d7aed115ba898eb01aa9a83d Monte Carlo Drug Design, base code. ---------------- Merge commit message: Merge remote-tracking branch 'origin/main' into drug_design

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Test: mac.clang.python38.PyRosetta.unit

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Test: ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit

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Test: ubuntu.gcc.code_quality.cppcheck

Failed sub-tests (click for more details):
protocols/drug_design/AtomExistsFilter.hh
Test: ubuntu.gcc.code_quality.merge_size

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking
Test: mac.clang.python39.integration

Failed sub-tests (click for more details):
code_template_tests_src output_schema
Test: ubuntu.clang.python312.scripts.pyrosetta

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branch: rosetta:commits 「№20619」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№172」
Merge: 「59628fbc5」← 「dba98c0cd」  code diff
Scheduled at: 2024-12-16 19:38:19.086381
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №172 RosettaCommons/rosetta/main ← folmilsch/rosetta/main Merge: 59628fbc5bc09f1221e1642f1f8d157ce49b1410←dba98c0cdaec9a8d9e1f7f6f3248342116595d91 Building PHENIX interface - add missing imports ---------------- Merge commit message: Update PhenixInterface.cc Put extra includes into #ifdef blocks

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Test: linux.gcc.code_quality.beautification

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking
Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
code_template_tests_src
Test: linux.clang.tensorflow.integration.tensorflow

Failed sub-tests (click for more details):
Test: linux.gcc.cxx11thread.integration.thread

Failed sub-tests (click for more details):
Test: torch.clang.torch.python39.integration.torch

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Test: linux.clang.performance

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Test: linux.clang.profile

Failed sub-tests (click for more details):
Test: linux.clang.score

Failed sub-tests (click for more details):
Test: linux.gcc.score

Failed sub-tests (click for more details):


branch: rosetta:commits 「№20618」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№277」
Merge: 「4e95d564d」← 「712774033」  code diff
Scheduled at: 2024-12-16 18:00:07.262720
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №277 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/roccomoretti-cmath-patch Merge: 4e95d564dc8b93fbe830018d2f295f3f69a70dfd←71277403334c9b421f9f8022d15888fd11b5a7bf Add cmath includes ---------------- Merge commit message: Update MC_RNA_KIC_Sampler.cc

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking
Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
code_template_tests_src
Test: mac.clang.python39.integration

Failed sub-tests (click for more details):
code_template_tests_src


branch: rosetta:commits 「№20617」
Commited by: tydingcw
GitHub commit link: 「266cb2d3b7d88da3」
Difference from previous tested commit:  code diff
Commit date: 2024-12-06 21:55:57
code_quality.beautify

fixing function def for vector of vector of strings(resi base name) and unit test

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branch: rosetta:commits 「№20616」
Commited by: tydingcw
GitHub Pull Request link: 「№263」
Merge: 「4e95d564d」← 「266cb2d3b」  code diff
Scheduled at: 2024-12-06 17:22:02.035231
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №263 RosettaCommons/rosetta/main ← tydingcw/rosetta/methyllanthionine_params_update Merge: 4e95d564dc8b93fbe830018d2f295f3f69a70dfd←266cb2d3b7d88da3698a1e42ec28dba7b6b74506 Lanthipeptide and recon multistate design update ---------------- Merge commit message: fixing function def for vector of vector of strings(resi base name) and unit test

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Test: linux.gcc.code_quality.beautification

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Test: linux.clang.tensorflow.integration.tensorflow

Failed sub-tests (click for more details):
database_md5
Test: linux.gcc.cxx11thread.integration.thread

Failed sub-tests (click for more details):
database_md5


branch: rosetta:commits 「№20615」
Commited by: Andrew Muenks
GitHub commit link: 「4e95d564dc8b93fb」
Difference from previous tested commit:  code diff
Commit date: 2024-11-12 19:57:32
m1.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release

Ligand identification in cryoEM maps with GALigandDock (#227) This PR contains updates to density tools and GALigandDock to detect unmodeled regions of cryoEM maps and evaluate docked ligands based on their dG and density fit. Changes include: * Adding ligand identity evaluation in multiple_ligands_ mode in GALigandDock if a density map is present * Adding find_unassigned_density to density_tools.cc * Adding the sim_cryo.cc app to simulate cryoEM data * Improvements to docking large ligands, including an alternative density erosion algorithm and alternative crossover and mutations in GALigandDock

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branch: rosetta:commits 「№20614」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№243」
Merge: 「4e95d564d」← 「b4505e50f」  code diff
Scheduled at: 2024-11-14 17:11:32.272814
m1.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release release.rosetta.conda.release

Pull Request №243 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 4e95d564dc8b93fbe830018d2f295f3f69a70dfd←b4505e50fec4806065b35bf471998147365ec513 Update Conda setup ---------------- Merge commit message: fix Conda install

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Test: ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release

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Test: ubuntu.clang.cxx11thread.serialization.python312.release.rosetta.conda.release

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branch: rosetta:commits 「№20613」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№243」
Merge: 「4e95d564d」← 「73d047af5」  code diff
Scheduled at: 2024-11-14 17:02:27.907488
m1.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release release.rosetta.conda.release

Pull Request №243 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 4e95d564dc8b93fbe830018d2f295f3f69a70dfd←73d047af557657f86461da20552c8bdccce523b8 Update Conda setup ---------------- Merge commit message: remove conda `defaults` and add `conda-forge` channel

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Test: mac.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release

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Test: ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release

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Test: ubuntu.clang.cxx11thread.serialization.python312.release.rosetta.conda.release

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branch: rosetta:commits 「№20612」
Commited by: David Johnson
GitHub Pull Request link: 「№221」
Merge: 「d1d7693ff」← 「992a4006a」  code diff
Scheduled at: 2024-11-12 15:59:42.696449
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №221 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/glycan-connection-debug Merge: d1d7693ff7c1d8c282106c6daaed09d0aef9e291←992a4006af3b4c10ba9d1dbfeb8cadcda5b5efb4 Bugfix for RosettaCM and branched glycans ---------------- Merge commit message: Beautification to fix indentations

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Test: ubuntu.gcc.code_quality.merge_size

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Test: mac.clang.python39.integration

Failed sub-tests (click for more details):
code_template_tests_src


branch: rosetta:commits 「№20611」
Commited by: Andrew Muenks
GitHub Pull Request link: 「№227」
Merge: 「948824176」← 「640b5e373」  code diff
Scheduled at: 2024-11-12 12:03:29.306161
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №227 RosettaCommons/rosetta/main ← agmuenks/rosetta/ligand_density_id Merge: 9488241768c837909eeb29965b890f877beed822←640b5e37377470ecd3c95abd9488d0165bd9ffed Ligand identification in cryoEM maps with GALigandDock ---------------- Merge commit message: beautification

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Test: ubuntu.gcc.code_quality.merge_size

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking


branch: rosetta:commits 「№20610」
Commited by: Andrew Muenks
GitHub Pull Request link: 「№227」
Merge: 「948824176」← 「0b5da92b7」  code diff
Scheduled at: 2024-11-12 10:28:26.435039
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №227 RosettaCommons/rosetta/main ← agmuenks/rosetta/ligand_density_id Merge: 9488241768c837909eeb29965b890f877beed822←0b5da92b7c24a3daa1345dd6389760a480c3e82c Ligand identification in cryoEM maps with GALigandDock ---------------- Merge commit message: made exception in sim_cryo more general

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Test: linux.gcc.code_quality.beautification

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Test: ubuntu.gcc.code_quality.merge_size

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking


branch: rosetta:commits 「№20609」
Commited by: Sergey Lyskov
GitHub commit link: 「9488241768c83790」
Difference from previous tested commit:  code diff
Commit date: 2024-10-28 16:44:49
integration.mpi integration.release_debug_with_symbols integration

increase default unit-test-timeout to 8min (#224)

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking
Test: linux.clang.integration.release_debug

Failed sub-tests (click for more details):
code_template_tests_src
Test: mac.clang.python39.integration

Failed sub-tests (click for more details):
code_template_tests_src


branch: rosetta:commits 「№20608」
Commited by: Andrew Muenks
GitHub Pull Request link: 「№227」
Merge: 「948824176」← 「706e45c69」  code diff
Scheduled at: 2024-11-11 16:31:53.871199
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №227 RosettaCommons/rosetta/main ← agmuenks/rosetta/ligand_density_id Merge: 9488241768c837909eeb29965b890f877beed822←706e45c692667699f55e221d338de527866a1914 Ligand identification in cryoEM maps with GALigandDock ---------------- Merge commit message: beautification

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Test: ubuntu.gcc.code_quality.merge_size

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking


branch: rosetta:commits 「№20607」
Commited by: Andrew Muenks
GitHub commit link: 「74e7559830396a9c」
Difference from previous tested commit:  code diff
Commit date: 2024-11-10 01:28:04
code_quality.beautify

moved writeStarFile to sim_cryo.cc. Removed StarFile.hh because it was no longer being used

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branch: rosetta:commits 「№20606」
Commited by: Andrew Muenks
GitHub Pull Request link: 「№227」
Merge: 「948824176」← 「74e755983」  code diff
Scheduled at: 2024-11-09 20:37:49.488531
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №227 RosettaCommons/rosetta/main ← agmuenks/rosetta/ligand_density_id Merge: 9488241768c837909eeb29965b890f877beed822←74e7559830396a9cb4ea4cf1cc06692ce8e92c63 Ligand identification in cryoEM maps with GALigandDock ---------------- Merge commit message: moved writeStarFile to sim_cryo.cc. Removed StarFile.hh because it was no longer being used

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Test: linux.gcc.code_quality.beautification

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Test: ubuntu.gcc.code_quality.merge_size

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking


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