Task 38583891
| Name | PFKFB3_A25_A05_r0_4-QUICO_ATM_GAFF2_LOMAP_PFKFB3-2-5-RND1307_0 |
| Workunit | 31547898 |
| Created | 14 Dec 2025, 22:03:46 UTC |
| Sent | 14 Dec 2025, 22:03:48 UTC |
| Report deadline | 19 Dec 2025, 22:03:48 UTC |
| Received | 14 Dec 2025, 23:18:15 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643627 |
| Run time | 1 hours 5 min 50 sec |
| CPU time | 1 hours 3 min |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 83,076.58 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 800.18 MB |
| Peak swap size | 13.31 GB |
| Peak disk usage | 3.26 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run z��.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:06:36 (36532): wrapper (7.9.26016): starting
16:06:36 (36532): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A05_0.pdb
QB_A25_A05_0.xml
QB_A25_A05_equil.pdb
QB_A25_A05.inpcrd
QB_A25_A05_input.yaml
QB_A25_A05_mdlambda.pdb
QB_A25_A05_min.pdb
QB_A25_A05_npt.pdb
QB_A25_A05.pdb
QB_A25_A05.prmtop
QB_A25_A05_sys.xml
QB_A25_A05_therm.pdb
run.bat
run.sh
16:06:38 (36532): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:06:38 (36532): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\24\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\24\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835403} normal block at 0x000002664D76DB30, 8 bytes long.
Data: < mMf > 00 00 6D 4D 66 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000002664F495410, 1080 bytes long.
Data: <4q > 34 71 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002664D760730, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:36:40 (33960): wrapper (7.9.26016): starting
16:36:40 (33960): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
17:16:11 (33960): C:/Windows/system32/cmd.exe exited; CPU time 2308.687500
17:16:11 (33960): app exit status: 0x16
17:16:11 (33960): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 49742629 bytes.
Dumping objects ->
{1835} normal block at 0x00000189B23D52D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1824} normal block at 0x00000189B23D5030, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1813} normal block at 0x00000189B23D5500, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1802} normal block at 0x00000189B23D5570, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1791} normal block at 0x00000189B23D4EE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1760} normal block at 0x00000189B23BF1F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1747} normal block at 0x00000189B23D61D0, 8 bytes long.
Data: < > 00 00 8A B2 89 01 00 00
{307} normal block at 0x00000189B23D5C30, 8 bytes long.
Data: < n= > D0 6E 3D B2 89 01 00 00
{298} normal block at 0x00000189B23C2370, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000189B23D6540, 16 bytes long.
Data: < m= > D8 6D 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000189B23D5BE0, 16 bytes long.
Data: < m= > B0 6D 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000189B23D06B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000189B23D5B90, 16 bytes long.
Data: < m= > 88 6D 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000189B23D5D20, 16 bytes long.
Data: <`m= > 60 6D 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000189B23D6590, 16 bytes long.
Data: <8m= > 38 6D 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000189B23D6950, 16 bytes long.
Data: < m= > 10 6D 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000189B23D5110, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x00000189B23D5AF0, 16 bytes long.
Data: <xM= > 78 4D 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000189B23CF9F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x00000189B23D6A40, 16 bytes long.
Data: <PM= > 50 4D 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000189B23D5FF0, 16 bytes long.
Data: <(M= > 28 4D 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000189B23D6900, 16 bytes long.
Data: < M= > 00 4D 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000189B23D65E0, 16 bytes long.
Data: < L= > D8 4C 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000189B23D68B0, 16 bytes long.
Data: < L= > B0 4C 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000189B23D6400, 16 bytes long.
Data: < L= > 88 4C 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000189B23CFFF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000189B23D6860, 16 bytes long.
Data: <`L= > 60 4C 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000189B23D4C60, 320 bytes long.
Data: <`h= < > 60 68 3D B2 89 01 00 00 F0 FF 3C B2 89 01 00 00
{277} normal block at 0x00000189B23D5FA0, 16 bytes long.
Data: < l= > F0 6C 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000189B23D5B40, 16 bytes long.
Data: < l= > C8 6C 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000189B23CFF30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000189B23D5EB0, 16 bytes long.
Data: < l= > A0 6C 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000189B23D02F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x00000189B23D6310, 16 bytes long.
Data: < k= > E8 6B 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000189B23D66D0, 16 bytes long.
Data: < k= > C0 6B 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000189B23D69A0, 16 bytes long.
Data: < k= > 98 6B 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000189B23D6810, 16 bytes long.
Data: <pk= > 70 6B 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000189B23D6180, 16 bytes long.
Data: <Hk= > 48 6B 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000189B23D69F0, 16 bytes long.
Data: < k= > 20 6B 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000189B23D5C80, 16 bytes long.
Data: < U= > E0 55 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000189B23D55E0, 40 bytes long.
Data: < \= ; > 80 5C 3D B2 89 01 00 00 F0 F1 3B B2 89 01 00 00
{263} normal block at 0x00000189B23D6450, 16 bytes long.
Data: < k= > 00 6B 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000189B23D62C0, 16 bytes long.
Data: < j= > D8 6A 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000189B23D0110, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x00000189B23D6270, 16 bytes long.
Data: < j= > B0 6A 3D B2 89 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000189B23D6AB0, 992 bytes long.
Data: <pb= = > 70 62 3D B2 89 01 00 00 10 01 3D B2 89 01 00 00
{95} normal block at 0x00000189B23CF990, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x00000189B23CE030, 16 bytes long.
Data: < ; > D0 DE 3B B2 89 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000189B23BDED0, 40 bytes long.
Data: <0 < < > 30 E0 3C B2 89 01 00 00 90 F9 3C B2 89 01 00 00
{72} normal block at 0x00000189B23CE490, 16 bytes long.
Data: < > 80 EA A5 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000189B23CDF40, 16 bytes long.
Data: <@ > 40 E9 A5 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000189B23CDEA0, 16 bytes long.
Data: < W > F8 57 A2 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000189B23CDE00, 16 bytes long.
Data: < W > D8 57 A2 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000189B23CDD60, 16 bytes long.
Data: <P > 50 04 A2 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000189B23CE260, 16 bytes long.
Data: <0 > 30 04 A2 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000189B23CDDB0, 16 bytes long.
Data: < > E0 02 A2 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000189B23CD860, 16 bytes long.
Data: < > 10 04 A2 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000189B23CD810, 16 bytes long.
Data: <p > 70 04 A2 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000189B23CD720, 16 bytes long.
Data: < > 18 C0 A0 9E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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