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Error in rosetta_scripts.mpi.linuxgccrelease: double free or corruption (!prev): 0x0000000007697a90

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Error in rosetta_scripts.mpi.linuxgccrelease: double free or corruption (!prev): 0x0000000007697a90
#1

Hello,

I am running  a xml script with rosetta_scripts (Rosetta 3.14, v2022.11) in my HPC cluster and I am getting the following error:

[0mprotocols.rosetta_scripts.ParsedProtocol: (21) [0m=======================BEGIN MOVER DeclareBond - update_connect=======================
*** Error in `/home/adi865j/Softwares/rosetta.source.release-314/main/source/bin/rosetta_scripts.mpi.linuxgccrelease': double free or corruption (!prev): 0x0000000007697a90 ***
======= Backtrace: =========
/lib64/libc.so.6(+0x81329)[0x2b67b54c7329]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/libprotocols.7.so(_ZNSt8_Rb_treeImSt4pairIKmN7utility7vector1ImSaImEEEESt10_Select1stIS6_ESt4lessImESaIS6_EE8_M_eraseEPSt13_Rb_tree_nodeIS6_E+0x55)[0x2b67a323f505]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/libcore.2.so(_ZN4core12conformation7Residue30update_connections_to_residuesEv+0x3b)[0x2b67b097d4db]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/libcore.2.so(_ZN4core12conformation7Residue26residue_connection_partnerEmmm+0x1f)[0x2b67b097d78f]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/libcore.2.so(_ZN4core12conformation12Conformation21declare_chemical_bondEmRKSsmS3_+0x113)[0x2b67b0945783]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/libprotocols_a.6.so(_ZN9protocols14cyclic_peptide11DeclareBond5applyERN4core4pose4PoseE+0x120)[0x2b67a5cf9840]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/libprotocols.1.so(_ZN9protocols15rosetta_scripts14ParsedProtocol11apply_moverERN4core4pose4PoseERKNS1_18ParsedProtocolStepE+0x230)[0x2b67abf5f030]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/libprotocols.1.so(_ZN9protocols15rosetta_scripts14ParsedProtocol10apply_stepERN4core4pose4PoseERKNS1_18ParsedProtocolStepEb+0x1f)[0x2b67abf5f42f]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/libprotocols.1.so(_ZN9protocols15rosetta_scripts14ParsedProtocol17sequence_protocolERN4core4pose4PoseEN9__gnu_cxx17__normal_iteratorIPKNS1_18ParsedProtocolStepESt6vectorIS8_SaIS8_EEEE+0x3d)[0x2b67abf5fded]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/libprotocols.1.so(_ZN9protocols15rosetta_scripts14ParsedProtocol5applyERN4core4pose4PoseE+0x130)[0x2b67abf60ff0]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/libprotocols.1.so(_ZN9protocols3jd214JobDistributor11run_one_jobERSt10shared_ptrINS_5moves5MoverEElRSsS7_RmS8_b+0xc52)[0x2b67ac08d422]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/libprotocols.1.so(_ZN9protocols3jd214JobDistributor7go_mainESt10shared_ptrINS_5moves5MoverEE+0xc1)[0x2b67ac08f141]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/libprotocols.1.so(_ZN9protocols3jd224MPIFileBufJobDistributor2goESt10shared_ptrINS_5moves5MoverEE+0xd6)[0x2b67ac0ae2b6]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/bin/rosetta_scripts.mpi.linuxgccrelease[0x403d1e]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x2b67b5468555]
/home/adi865j/Softwares/rosetta.source.release-314/main/source/bin/rosetta_scripts.mpi.linuxgccrelease[0x4040c1]

The error comes after:

<DeclareBond name="update_connect" atom1="CG" res1="324" atom2="NE" res2="329" add_termini="false"/>

Intended to cyclize a peptide. The same script works well with other peptides and with this structure, it starts well and writes several solutions until it crashes as before. Attached is the full output backtrace after the error.

Any thoughts?

Thanks in advance.

Best,

--Yasser

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output.log83.51 KB
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Thu, 2022-11-17 01:04
almeida85