Task 38641319
| Name | tnks2_A25_A11_r0_4-QUICO_ATM_OpenFF23_NAGL_tnks2-4-6-RND0178_0 |
| Workunit | 31588517 |
| Created | 2 May 2026, 12:37:47 UTC |
| Sent | 2 May 2026, 12:37:52 UTC |
| Report deadline | 7 May 2026, 12:37:52 UTC |
| Received | 2 May 2026, 17:58:47 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 604231 |
| Run time | 53 min 22 sec |
| CPU time | 53 min 22 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 82,585.56 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 521.21 MB |
| Peak swap size | 12.88 GB |
| Peak disk usage | 2.92 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
10:56:25 (35804): wrapper (7.9.26016): starting
10:56:25 (35804): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A11_0.pdb
QB_A25_A11_0.xml
QB_A25_A11.inpcrd
QB_A25_A11_input.yaml
QB_A25_A11.pdb
QB_A25_A11.prmtop
QB_A25_A11_sys.xml
run.bat
run.sh
10:56:26 (35804): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:56:26 (35804): 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 'M:\BOINC\slots\7\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 'M:\BOINC\slots\7\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) : {3835536} normal block at 0x000001F56D2DD7F0, 8 bytes long.
Data: < m > 00 00 92 6D F5 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x000001F56D2CD8F0, 1080 bytes long.
Data: <Xh > 58 68 00 00 CD CD CD CD 08 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001F56D2D0A80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:31:47 (19064): wrapper (7.9.26016): starting
12:31:47 (19064): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file M:\BOINC\slots\7\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
12:52:51 (19064): C:/Windows/system32/cmd.exe exited; CPU time 1151.234375
12:52:51 (19064): app exit status: 0x40010004
12:52:51 (19064): called boinc_finish(195)
0 bytes in 0 Free Blocks.
456 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: 22746758 bytes.
Dumping objects ->
{1968} normal block at 0x00000231BB095060, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{1957} normal block at 0x00000231BB0900F0, 32 bytes long.
Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{1946} normal block at 0x00000231BB08FFD0, 32 bytes long.
Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{1935} normal block at 0x00000231BB08F970, 32 bytes long.
Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{1924} normal block at 0x00000231BB0901B0, 32 bytes long.
Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C
{1893} normal block at 0x00000231BB094F10, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{1882} normal block at 0x00000231BB07D450, 140 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) : {1879} normal block at 0x00000231BB0960A0, 8 bytes long.
Data: < 1 > 00 00 02 BB 31 02 00 00
{1079} normal block at 0x00000231BB080530, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{308} normal block at 0x00000231BB095AB0, 8 bytes long.
Data: < F 1 > 10 46 09 BB 31 02 00 00
{299} normal block at 0x00000231BB081BB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x00000231BB095A10, 16 bytes long.
Data: <hk 1 > 68 6B 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000231BB0967D0, 16 bytes long.
Data: <@k 1 > 40 6B 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000231BB08FF70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x00000231BB095FB0, 16 bytes long.
Data: < k 1 > 18 6B 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000231BB0959C0, 16 bytes long.
Data: < j 1 > F0 6A 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000231BB096370, 16 bytes long.
Data: < j 1 > C8 6A 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000231BB095BA0, 16 bytes long.
Data: < j 1 > A0 6A 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000231BB094EA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x00000231BB095970, 16 bytes long.
Data: < 1 > 18 00 08 BB 31 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000231BB0903F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x00000231BB095F60, 16 bytes long.
Data: < 1 > F0 FF 07 BB 31 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000231BB096050, 16 bytes long.
Data: < 1 > C8 FF 07 BB 31 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000231BB095F10, 16 bytes long.
Data: < 1 > A0 FF 07 BB 31 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000231BB095D80, 16 bytes long.
Data: <x 1 > 78 FF 07 BB 31 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000231BB096140, 16 bytes long.
Data: <P 1 > 50 FF 07 BB 31 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000231BB095C90, 16 bytes long.
Data: <( 1 > 28 FF 07 BB 31 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000231BB08F730, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x00000231BB096550, 16 bytes long.
Data: < 1 > 00 FF 07 BB 31 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000231BB07FF00, 320 bytes long.
Data: <Pe 1 0 1 > 50 65 09 BB 31 02 00 00 30 F7 08 BB 31 02 00 00
{278} normal block at 0x00000231BB095920, 16 bytes long.
Data: < j 1 > 80 6A 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000231BB095BF0, 16 bytes long.
Data: <Xj 1 > 58 6A 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000231BB0902D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x00000231BB096500, 16 bytes long.
Data: <0j 1 > 30 6A 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000231BB090210, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x00000231BB0962D0, 16 bytes long.
Data: <xi 1 > 78 69 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000231BB095CE0, 16 bytes long.
Data: <Pi 1 > 50 69 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000231BB095EC0, 16 bytes long.
Data: <(i 1 > 28 69 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000231BB0964B0, 16 bytes long.
Data: < i 1 > 00 69 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000231BB095880, 16 bytes long.
Data: < h 1 > D8 68 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000231BB0958D0, 16 bytes long.
Data: < h 1 > B0 68 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000231BB096000, 16 bytes long.
Data: <0N 1 > 30 4E 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000231BB094E30, 40 bytes long.
Data: < ` 1 O 1 > 00 60 09 BB 31 02 00 00 10 4F 09 BB 31 02 00 00
{264} normal block at 0x00000231BB096280, 16 bytes long.
Data: < h 1 > 90 68 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000231BB095E20, 16 bytes long.
Data: <hh 1 > 68 68 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000231BB090270, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x00000231BB096730, 16 bytes long.
Data: <@h 1 > 40 68 09 BB 31 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000231BB096840, 992 bytes long.
Data: <0g 1 p 1 > 30 67 09 BB 31 02 00 00 70 02 09 BB 31 02 00 00
{96} normal block at 0x00000231BB08FA90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x00000231BB08DD60, 16 bytes long.
Data: < 1 > 20 E5 07 BB 31 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000231BB07E520, 40 bytes long.
Data: <` 1 1 > 60 DD 08 BB 31 02 00 00 90 FA 08 BB 31 02 00 00
{73} normal block at 0x00000231BB08D680, 16 bytes long.
Data: < > 80 EA DE B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000231BB08DCC0, 16 bytes long.
Data: <@ > 40 E9 DE B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000231BB08DDB0, 16 bytes long.
Data: < W > F8 57 DB B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000231BB08D3B0, 16 bytes long.
Data: < W > D8 57 DB B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000231BB08D310, 16 bytes long.
Data: <P > 50 04 DB B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000231BB08E1C0, 16 bytes long.
Data: <0 > 30 04 DB B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000231BB08D900, 16 bytes long.
Data: < > E0 02 DB B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000231BB08D540, 16 bytes long.
Data: < > 10 04 DB B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000231BB08D630, 16 bytes long.
Data: <p > 70 04 DB B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000231BB08D5E0, 16 bytes long.
Data: < > 18 C0 D9 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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