Task 38608608
| Name | tnks2_A02_A26_r0_4-QUICO_ATM_GAFF2_NAGL_TNKS2-3-6-RND9450_0 |
| Workunit | 31561864 |
| Created | 14 Apr 2026, 17:15:02 UTC |
| Sent | 14 Apr 2026, 17:15:14 UTC |
| Report deadline | 19 Apr 2026, 17:15:14 UTC |
| Received | 15 Apr 2026, 15:52:14 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643074 |
| Run time | 3 hours 3 min 16 sec |
| CPU time | 1 hours 48 min 40 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 12,851.69 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 504.81 MB |
| Peak swap size | 2.81 GB |
| Peak disk usage | 2.94 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
19:30:43 (15896): wrapper (7.9.26016): starting
19:30:43 (15896): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A26_0.pdb
QB_A02_A26_0.xml
QB_A02_A26.inpcrd
QB_A02_A26_input.yaml
QB_A02_A26.pdb
QB_A02_A26.prmtop
QB_A02_A26_sys.xml
run.bat
run.sh
19:30:45 (15896): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:30:45 (15896): 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\1\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\1\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) : {3835170} normal block at 0x00000139FBDDB1A0, 8 bytes long.
Data: < s 9 > 00 00 73 FD 39 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833948} normal block at 0x00000139FBDCC8C0, 1080 bytes long.
Data: <<9 > 3C 39 00 00 CD CD CD CD 8C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000139FBDCF640, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:20:55 (12536): wrapper (7.9.26016): starting
23:20:55 (12536): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
16:28:54 (28944): wrapper (7.9.26016): starting
16:28:54 (28944): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
17:04:03 (4844): wrapper (7.9.26016): starting
17:04:03 (4844): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
17:06:57 (1248): wrapper (7.9.26016): starting
17:06:57 (1248): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
17:36:05 (1248): C:/Windows/system32/cmd.exe exited; CPU time 776.546875
17:36:05 (1248): app exit status: 0x40010004
17:36:05 (1248): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 23336406 bytes.
Dumping objects ->
{1610} normal block at 0x0000022E0292E690, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1599} normal block at 0x0000022E0292E460, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1588} normal block at 0x0000022E0292E850, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1577} normal block at 0x0000022E0292E4D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1566} normal block at 0x0000022E0292E3F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1535} normal block at 0x0000022E0291D840, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1524} normal block at 0x0000022E0291D790, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1521} normal block at 0x0000022E02933460, 8 bytes long.
Data: < 6 . > 00 00 36 04 2E 02 00 00
{902} normal block at 0x0000022E029331A0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{300} normal block at 0x0000022E02933820, 8 bytes long.
Data: <p, . > 70 2C 93 02 2E 02 00 00
{291} normal block at 0x0000022E0291B460, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x0000022E02933E60, 16 bytes long.
Data: < I . > B8 49 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022E029335A0, 16 bytes long.
Data: < I . > 90 49 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022E0292F650, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x0000022E02933410, 16 bytes long.
Data: <hI . > 68 49 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022E02933370, 16 bytes long.
Data: <@I . > 40 49 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022E02933CD0, 16 bytes long.
Data: < I . > 18 49 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022E02933E10, 16 bytes long.
Data: < H . > F0 48 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022E0292E7E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x0000022E02933910, 16 bytes long.
Data: < . > B8 EB 91 02 2E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022E0292F0B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x0000022E02934180, 16 bytes long.
Data: < . > 90 EB 91 02 2E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022E02934220, 16 bytes long.
Data: <h . > 68 EB 91 02 2E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022E029340E0, 16 bytes long.
Data: <@ . > 40 EB 91 02 2E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022E029339B0, 16 bytes long.
Data: < . > 18 EB 91 02 2E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022E02933550, 16 bytes long.
Data: < . > F0 EA 91 02 2E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022E029341D0, 16 bytes long.
Data: < . > C8 EA 91 02 2E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022E0292F8F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x0000022E02933FF0, 16 bytes long.
Data: < . > A0 EA 91 02 2E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022E0291EAA0, 320 bytes long.
Data: < ? . . > F0 3F 93 02 2E 02 00 00 F0 F8 92 02 2E 02 00 00
{270} normal block at 0x0000022E02933C80, 16 bytes long.
Data: < H . > D0 48 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022E02933DC0, 16 bytes long.
Data: < H . > A8 48 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022E0292F830, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x0000022E02934090, 16 bytes long.
Data: < H . > 80 48 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022E0292F5F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x0000022E02933C30, 16 bytes long.
Data: < G . > C8 47 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022E02933FA0, 16 bytes long.
Data: < G . > A0 47 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022E02933960, 16 bytes long.
Data: <xG . > 78 47 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022E02933EB0, 16 bytes long.
Data: <PG . > 50 47 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022E02933F50, 16 bytes long.
Data: <(G . > 28 47 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022E02934040, 16 bytes long.
Data: < G . > 00 47 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000022E02933F00, 16 bytes long.
Data: < . > 00 E7 92 02 2E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000022E0292E700, 40 bytes long.
Data: < ? . @ . > 00 3F 93 02 2E 02 00 00 40 D8 91 02 2E 02 00 00
{256} normal block at 0x0000022E02933320, 16 bytes long.
Data: < F . > E0 46 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000022E02933B40, 16 bytes long.
Data: < F . > B8 46 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000022E0292F530, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x0000022E02933BE0, 16 bytes long.
Data: < F . > 90 46 93 02 2E 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000022E02934690, 992 bytes long.
Data: < ; . 0 . > E0 3B 93 02 2E 02 00 00 30 F5 92 02 2E 02 00 00
{88} normal block at 0x0000022E0292FA10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x0000022E0292B1B0, 16 bytes long.
Data: < . > B0 E5 92 02 2E 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000022E0292E5B0, 40 bytes long.
Data: < . . > B0 B1 92 02 2E 02 00 00 10 FA 92 02 2E 02 00 00
{65} normal block at 0x0000022E0292B020, 16 bytes long.
Data: < ` > 80 EA F8 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022E0292B3E0, 16 bytes long.
Data: <@ ` > 40 E9 F8 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022E0292B890, 16 bytes long.
Data: < W ` > F8 57 F5 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022E0292B7A0, 16 bytes long.
Data: < W ` > D8 57 F5 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000022E0292B4D0, 16 bytes long.
Data: <P ` > 50 04 F5 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000022E0292BE80, 16 bytes long.
Data: <0 ` > 30 04 F5 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000022E0292BCA0, 16 bytes long.
Data: < ` > E0 02 F5 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000022E0292B070, 16 bytes long.
Data: < ` > 10 04 F5 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000022E0292BD40, 16 bytes long.
Data: <p ` > 70 04 F5 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000022E0292BB10, 16 bytes long.
Data: < ` > 18 C0 F3 60 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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