Task 38621208
| Name | p38_A31_A33_r0_4-QUICO_ATM_OpenFF_p38-5-6-RND5439_2 |
| Workunit | 31571803 |
| Created | 20 Apr 2026, 8:11:05 UTC |
| Sent | 20 Apr 2026, 8:11:11 UTC |
| Report deadline | 25 Apr 2026, 8:11:11 UTC |
| Received | 20 Apr 2026, 17:53:37 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 625832 |
| Run time | 4 hours 17 min 27 sec |
| CPU time | 4 hours 2 min 24 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 5,076.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 646.75 MB |
| Peak swap size | 5.17 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
10:28:09 (15380): wrapper (7.9.26016): starting
10:28:09 (15380): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A33_0.pdb
QB_A31_A33_0.xml
QB_A31_A33.inpcrd
QB_A31_A33_input.yaml
QB_A31_A33.pdb
QB_A31_A33.prmtop
QB_A31_A33_sys.xml
run.bat
run.sh
10:28:16 (15380): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:28:16 (15380): 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 'D:\BoincmData\slots\2\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 'D:\BoincmData\slots\2\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) : {3835376} normal block at 0x000001D6F004E560, 8 bytes long.
Data: < > 00 00 FF EF D6 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x000001D6F003DAD0, 1080 bytes long.
Data: < L > D4 4C 00 00 CD CD CD CD F8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001D6F0040D80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:15:29 (10780): wrapper (7.9.26016): starting
19:15:30 (10780): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "D:\BoincmData\slots\2\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
OSError: [Errno 28] No space left on device
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "D:\BoincmData\slots\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BoincmData\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "D:\BoincmData\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 324, in scheduleJobs
self.print_status()
File "D:\BoincmData\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 318, in print_status
ofile.close()
OSError: [Errno 28] No space left on device
19:51:31 (10780): C:/Windows/system32/cmd.exe exited; CPU time 1966.312500
19:51:31 (10780): app exit status: 0x16
19:51:31 (10780): called boinc_finish(195)
0 bytes in 0 Free Blocks.
176 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: 30820187 bytes.
Dumping objects ->
{1809} normal block at 0x000002195A9B52A0, 48 bytes long.
Data: <PATH=D:\BoincmDa> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 6D 44 61
{1798} normal block at 0x000002195A9B12A0, 32 bytes long.
Data: <HOME=D:\BoincmDa> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 6D 44 61
{1787} normal block at 0x000002195A9B14E0, 32 bytes long.
Data: <TMP=D:\BoincmDat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 6D 44 61 74
{1776} normal block at 0x000002195A9B1060, 32 bytes long.
Data: <TEMP=D:\BoincmDa> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 6D 44 61
{1765} normal block at 0x000002195A9B1000, 32 bytes long.
Data: <TMPDIR=D:\Boincm> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 6D
{1734} normal block at 0x000002195A9B4F20, 48 bytes long.
Data: <PATH=D:\BoincmDa> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 6D 44 61
..\api\boinc_api.cpp(309) : {1721} normal block at 0x000002195A9B5870, 8 bytes long.
Data: < Z > 00 00 94 5A 19 02 00 00
{306} normal block at 0x000002195A9B5B90, 8 bytes long.
Data: < k Z > 10 6B 9B 5A 19 02 00 00
{297} normal block at 0x000002195A9A2550, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000002195A9B6130, 16 bytes long.
Data: < j Z > 18 6A 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002195A9B5D70, 16 bytes long.
Data: < i Z > F0 69 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002195A9B1720, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000002195A9B5F50, 16 bytes long.
Data: < i Z > C8 69 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002195A9B6630, 16 bytes long.
Data: < i Z > A0 69 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002195A9B5CD0, 16 bytes long.
Data: <xi Z > 78 69 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002195A9B5C80, 16 bytes long.
Data: <Pi Z > 50 69 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002195A9B5620, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000002195A9B5AF0, 16 bytes long.
Data: <8 Z > 38 FA 99 5A 19 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002195A9B1480, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000002195A9B5A50, 16 bytes long.
Data: < Z > 10 FA 99 5A 19 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002195A9B5AA0, 16 bytes long.
Data: < Z > E8 F9 99 5A 19 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002195A9B6540, 16 bytes long.
Data: < Z > C0 F9 99 5A 19 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002195A9B5C30, 16 bytes long.
Data: < Z > 98 F9 99 5A 19 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002195A9B5E10, 16 bytes long.
Data: <p Z > 70 F9 99 5A 19 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002195A9B65E0, 16 bytes long.
Data: <H Z > 48 F9 99 5A 19 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002195A9B1D80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000002195A9B59B0, 16 bytes long.
Data: < Z > 20 F9 99 5A 19 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002195A99F920, 320 bytes long.
Data: < Y Z Z > B0 59 9B 5A 19 02 00 00 80 1D 9B 5A 19 02 00 00
{276} normal block at 0x000002195A9B64F0, 16 bytes long.
Data: <0i Z > 30 69 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002195A9B5DC0, 16 bytes long.
Data: < i Z > 08 69 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002195A9B1CC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000002195A9B6590, 16 bytes long.
Data: < h Z > E0 68 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002195A9B1420, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000002195A9B58C0, 16 bytes long.
Data: <(h Z > 28 68 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002195A9B62C0, 16 bytes long.
Data: < h Z > 00 68 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002195A9B61D0, 16 bytes long.
Data: < g Z > D8 67 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002195A9B64A0, 16 bytes long.
Data: < g Z > B0 67 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002195A9B5BE0, 16 bytes long.
Data: < g Z > 88 67 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002195A9B6400, 16 bytes long.
Data: <`g Z > 60 67 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002195A9B6180, 16 bytes long.
Data: < Q Z > C0 51 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002195A9B51C0, 40 bytes long.
Data: < a Z O Z > 80 61 9B 5A 19 02 00 00 20 4F 9B 5A 19 02 00 00
{262} normal block at 0x000002195A9B60E0, 16 bytes long.
Data: <@g Z > 40 67 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002195A9B6450, 16 bytes long.
Data: < g Z > 18 67 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002195A9B1C00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000002195A9B6680, 16 bytes long.
Data: < f Z > F0 66 9B 5A 19 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002195A9B66F0, 992 bytes long.
Data: < f Z Z > 80 66 9B 5A 19 02 00 00 00 1C 9B 5A 19 02 00 00
{94} normal block at 0x000002195A9B1C60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000002195A9ADBE0, 16 bytes long.
Data: <0 Z > 30 D6 99 5A 19 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002195A99D630, 40 bytes long.
Data: < Z ` Z > E0 DB 9A 5A 19 02 00 00 60 1C 9B 5A 19 02 00 00
{71} normal block at 0x000002195A9ADC80, 16 bytes long.
Data: < > 80 EA DE A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002195A9ADFA0, 16 bytes long.
Data: <@ > 40 E9 DE A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002195A9AD9B0, 16 bytes long.
Data: < W > F8 57 DB A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002195A9AE0E0, 16 bytes long.
Data: < W > D8 57 DB A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002195A9AD500, 16 bytes long.
Data: <P > 50 04 DB A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002195A9AD460, 16 bytes long.
Data: <0 > 30 04 DB A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002195A9AD910, 16 bytes long.
Data: < > E0 02 DB A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002195A9AD8C0, 16 bytes long.
Data: < > 10 04 DB A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002195A9AD1E0, 16 bytes long.
Data: <p > 70 04 DB A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002195A9ADAA0, 16 bytes long.
Data: < > 18 C0 D9 A9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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