Task 38582914
| Name | JNK1_A25_A38_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND1925_2 |
| Workunit | 31545216 |
| Created | 13 Dec 2025, 14:46:21 UTC |
| Sent | 13 Dec 2025, 14:46:26 UTC |
| Report deadline | 18 Dec 2025, 14:46:26 UTC |
| Received | 14 Dec 2025, 2:21:03 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643627 |
| Run time | 11 hours 28 min 8 sec |
| CPU time | 10 hours 48 min 4 sec |
| 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 | 754.17 MB |
| Peak swap size | 13.20 GB |
| Peak disk usage | 3.09 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>
08:47:35 (31356): wrapper (7.9.26016): starting
08:47:35 (31356): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A38_0.pdb
QB_A25_A38_0.xml
QB_A25_A38_equil.pdb
QB_A25_A38.inpcrd
QB_A25_A38_input.yaml
QB_A25_A38_mdlambda.pdb
QB_A25_A38_min.pdb
QB_A25_A38_npt.pdb
QB_A25_A38_out_merged_nowater.pdb
QB_A25_A38.pdb
QB_A25_A38.prmtop
QB_A25_A38_sys.xml
QB_A25_A38_therm.pdb
run.bat
run.sh
08:47:37 (31356): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:47:37 (31356): 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 0x000001AC7EB2DB50, 8 bytes long.
Data: < ~ > 00 00 AC 7E AC 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000001AC7F5156A0, 1080 bytes long.
Data: < m > CC 6D 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001AC7EB20300, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:52:43 (6116): wrapper (7.9.26016): starting
11:52:43 (6116): 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.
20:19:03 (6116): C:/Windows/system32/cmd.exe exited; CPU time 28580.453125
20:19:03 (6116): app exit status: 0x16
20:19:03 (6116): 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: 637520571 bytes.
Dumping objects ->
{1835} normal block at 0x000001552C0450B0, 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 0x000001552C0454A0, 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 0x000001552C044F60, 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 0x000001552C045120, 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 0x000001552C045200, 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 0x000001552C02F650, 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 0x000001552C046A00, 8 bytes long.
Data: < +U > 00 00 FF 2B 55 01 00 00
{307} normal block at 0x000001552C0460F0, 8 bytes long.
Data: < n ,U > E0 6E 04 2C 55 01 00 00
{298} normal block at 0x000001552C032410, 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 0x000001552C0460A0, 16 bytes long.
Data: < m ,U > E8 6D 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001552C045BF0, 16 bytes long.
Data: < m ,U > C0 6D 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001552C040120, 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 0x000001552C045CE0, 16 bytes long.
Data: < m ,U > 98 6D 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001552C046230, 16 bytes long.
Data: <pm ,U > 70 6D 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001552C046190, 16 bytes long.
Data: <Hm ,U > 48 6D 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001552C0465A0, 16 bytes long.
Data: < m ,U > 20 6D 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001552C044FD0, 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 0x000001552C046050, 16 bytes long.
Data: < M ,U > 88 4D 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001552C03FE80, 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 0x000001552C046140, 16 bytes long.
Data: <`M ,U > 60 4D 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001552C045B00, 16 bytes long.
Data: <8M ,U > 38 4D 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001552C046500, 16 bytes long.
Data: < M ,U > 10 4D 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001552C0468C0, 16 bytes long.
Data: < L ,U > E8 4C 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001552C046370, 16 bytes long.
Data: < L ,U > C0 4C 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001552C046910, 16 bytes long.
Data: < L ,U > 98 4C 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001552C040780, 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 0x000001552C046320, 16 bytes long.
Data: <pL ,U > 70 4C 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001552C044C70, 320 bytes long.
Data: < c ,U ,U > 20 63 04 2C 55 01 00 00 80 07 04 2C 55 01 00 00
{277} normal block at 0x000001552C045E20, 16 bytes long.
Data: < m ,U > 00 6D 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001552C0462D0, 16 bytes long.
Data: < l ,U > D8 6C 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001552C0405A0, 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 0x000001552C046A50, 16 bytes long.
Data: < l ,U > B0 6C 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001552C03FA60, 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 0x000001552C046000, 16 bytes long.
Data: < k ,U > F8 6B 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001552C0464B0, 16 bytes long.
Data: < k ,U > D0 6B 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001552C045F10, 16 bytes long.
Data: < k ,U > A8 6B 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001552C046460, 16 bytes long.
Data: < k ,U > 80 6B 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001552C0469B0, 16 bytes long.
Data: <Xk ,U > 58 6B 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001552C045C90, 16 bytes long.
Data: <0k ,U > 30 6B 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001552C046550, 16 bytes long.
Data: <@P ,U > 40 50 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001552C045040, 40 bytes long.
Data: <Pe ,U P ,U > 50 65 04 2C 55 01 00 00 50 F6 02 2C 55 01 00 00
{263} normal block at 0x000001552C045BA0, 16 bytes long.
Data: < k ,U > 10 6B 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001552C045FB0, 16 bytes long.
Data: < j ,U > E8 6A 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001552C0401E0, 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 0x000001552C046280, 16 bytes long.
Data: < j ,U > C0 6A 04 2C 55 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001552C046AC0, 992 bytes long.
Data: < b ,U ,U > 80 62 04 2C 55 01 00 00 E0 01 04 2C 55 01 00 00
{95} normal block at 0x000001552C03FB20, 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 0x000001552C03DFF0, 16 bytes long.
Data: < ,U > 00 E3 02 2C 55 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001552C02E300, 40 bytes long.
Data: < ,U ,U > F0 DF 03 2C 55 01 00 00 20 FB 03 2C 55 01 00 00
{72} normal block at 0x000001552C03DAF0, 16 bytes long.
Data: < > 80 EA A5 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001552C03E3B0, 16 bytes long.
Data: <@ > 40 E9 A5 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001552C03DFA0, 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 0x000001552C03E450, 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 0x000001552C03D8C0, 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 0x000001552C03E360, 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 0x000001552C03DF50, 16 bytes long.
Data: < > E0 02 A2 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001552C03D5F0, 16 bytes long.
Data: < > 10 04 A2 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001552C03D7D0, 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 0x000001552C03DE60, 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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