Task 38633242
| Name | cdk8_A29_A30_r0_3-QUICO_ATM_OpenFF23_NAGL_cdk8-1-6-RND0716_0 |
| Workunit | 31582018 |
| Created | 27 Apr 2026, 0:13:21 UTC |
| Sent | 27 Apr 2026, 0:13:24 UTC |
| Report deadline | 2 May 2026, 0:13:24 UTC |
| Received | 30 Apr 2026, 10:39:21 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 638317 |
| Run time | 2 hours 38 min 8 sec |
| CPU time | 2 hours 38 min 8 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 45,026.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 1,010.44 MB |
| Peak swap size | 10.45 GB |
| Peak disk usage | 3.24 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
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(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
21:04:50 (3916): wrapper (7.9.26016): starting
21:04:50 (3916): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A29_A30_0.pdb
QB_A29_A30_0.xml
QB_A29_A30.inpcrd
QB_A29_A30_input.yaml
QB_A29_A30.pdb
QB_A29_A30.prmtop
QB_A29_A30_sys.xml
run.bat
run.sh
21:04:51 (3916): Library/usr/bin/tar.exe exited; CPU time 0.031250
21:04:51 (3916): 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.
20:17:30 (25048): wrapper (7.9.26016): starting
20:17:30 (25048): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
04:43:03 (22932): wrapper (7.9.26016): starting
04:43:03 (22932): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1723} normal block at 0x000001DC1FCA5FE0, 8 bytes long.
Data: < 4 > 00 00 34 20 DC 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001DC1FCA66F0, 1080 bytes long.
Data: < Z > E8 5A 00 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
20:09:18 (21660): wrapper (7.9.26016): starting
20:09:18 (21660): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1723} normal block at 0x000001C5238357B0, 8 bytes long.
Data: < z# > 00 00 7A 23 C5 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001C523835F80, 1080 bytes long.
Data: < V > D4 56 00 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
04:21:58 (21744): wrapper (7.9.26016): starting
04:21:58 (21744): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
04:51:16 (21744): C:/Windows/system32/cmd.exe exited; CPU time 1815.046875
04:51:16 (21744): app exit status: 0x40010004
04:51:16 (21744): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 33169448 bytes.
Dumping objects ->
{1812} normal block at 0x000002349E804EB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1801} normal block at 0x000002349E804890, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1790} normal block at 0x000002349E804AC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1779} normal block at 0x000002349E8047B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1768} normal block at 0x000002349E804D60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1737} normal block at 0x000002349E7EC5B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1726} normal block at 0x000002349E7EED20, 141 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) : {1723} normal block at 0x000002349E805500, 8 bytes long.
Data: < w 4 > 00 00 77 9E 34 02 00 00
{1003} normal block at 0x000002349E7EB440, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x000002349E8060E0, 8 bytes long.
Data: < g 4 > A0 67 80 9E 34 02 00 00
{295} normal block at 0x000002349E7F2130, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002349E805640, 16 bytes long.
Data: < f 4 > A8 66 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002349E805BE0, 16 bytes long.
Data: < f 4 > 80 66 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002349E801410, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002349E805870, 16 bytes long.
Data: <Xf 4 > 58 66 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002349E8053C0, 16 bytes long.
Data: <0f 4 > 30 66 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002349E806040, 16 bytes long.
Data: < f 4 > 08 66 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002349E805B90, 16 bytes long.
Data: < e 4 > E0 65 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002349E804970, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002349E805B40, 16 bytes long.
Data: < ~ 4 > D8 B3 7E 9E 34 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002349E8013B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002349E8055F0, 16 bytes long.
Data: < ~ 4 > B0 B3 7E 9E 34 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002349E805C30, 16 bytes long.
Data: < ~ 4 > 88 B3 7E 9E 34 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002349E805FF0, 16 bytes long.
Data: <` ~ 4 > 60 B3 7E 9E 34 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002349E8055A0, 16 bytes long.
Data: <8 ~ 4 > 38 B3 7E 9E 34 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002349E805D70, 16 bytes long.
Data: < ~ 4 > 10 B3 7E 9E 34 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002349E805D20, 16 bytes long.
Data: < ~ 4 > E8 B2 7E 9E 34 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002349E8010B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002349E8058C0, 16 bytes long.
Data: < ~ 4 > C0 B2 7E 9E 34 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002349E7EB2C0, 320 bytes long.
Data: < X 4 4 > C0 58 80 9E 34 02 00 00 B0 10 80 9E 34 02 00 00
{274} normal block at 0x000002349E806310, 16 bytes long.
Data: < e 4 > C0 65 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002349E8054B0, 16 bytes long.
Data: < e 4 > 98 65 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002349E8009F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002349E805EB0, 16 bytes long.
Data: <pe 4 > 70 65 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002349E801230, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002349E806180, 16 bytes long.
Data: < d 4 > B8 64 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002349E805AF0, 16 bytes long.
Data: < d 4 > 90 64 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002349E805730, 16 bytes long.
Data: <hd 4 > 68 64 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002349E805E10, 16 bytes long.
Data: <@d 4 > 40 64 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002349E805E60, 16 bytes long.
Data: < d 4 > 18 64 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002349E805AA0, 16 bytes long.
Data: < c 4 > F0 63 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002349E8056E0, 16 bytes long.
Data: <0K 4 > 30 4B 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002349E804B30, 40 bytes long.
Data: < V 4 ~ 4 > E0 56 80 9E 34 02 00 00 B0 C5 7E 9E 34 02 00 00
{260} normal block at 0x000002349E8057D0, 16 bytes long.
Data: < c 4 > D0 63 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002349E805550, 16 bytes long.
Data: < c 4 > A8 63 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002349E800FF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002349E805F50, 16 bytes long.
Data: < c 4 > 80 63 80 9E 34 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002349E806380, 992 bytes long.
Data: <P_ 4 4 > 50 5F 80 9E 34 02 00 00 F0 0F 80 9E 34 02 00 00
{92} normal block at 0x000002349E800810, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002349E7FDBA0, 16 bytes long.
Data: <@ ~ 4 > 40 C5 7E 9E 34 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002349E7EC540, 40 bytes long.
Data: < 4 4 > A0 DB 7F 9E 34 02 00 00 10 08 80 9E 34 02 00 00
{67} normal block at 0x000002349E7FD7E0, 16 bytes long.
Data: < b > 80 EA 96 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002349E7FD290, 16 bytes long.
Data: <@ b > 40 E9 96 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002349E7FD150, 16 bytes long.
Data: < W b > F8 57 93 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002349E7FD510, 16 bytes long.
Data: < W b > D8 57 93 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002349E7FD100, 16 bytes long.
Data: <P b > 50 04 93 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002349E7FDEC0, 16 bytes long.
Data: <0 b > 30 04 93 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002349E7FDD80, 16 bytes long.
Data: < b > E0 02 93 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002349E7FDF10, 16 bytes long.
Data: < b > 10 04 93 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002349E7FDA10, 16 bytes long.
Data: <p b > 70 04 93 62 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002349E7FD740, 16 bytes long.
Data: < b > 18 C0 91 62 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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