Task 38583486
| Name | PFKFB3_A27_A25_r0_4-QUICO_ATM_GAFF2_LOMAP_PFKFB3-4-5-RND2759_0 |
| Workunit | 31547610 |
| Created | 14 Dec 2025, 6:44:31 UTC |
| Sent | 14 Dec 2025, 6:44:41 UTC |
| Report deadline | 19 Dec 2025, 6:44:41 UTC |
| Received | 15 Dec 2025, 3:02:29 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 585486 |
| Run time | 6 hours 7 min 28 sec |
| CPU time | 6 hours 7 min 28 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 21,380.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 771.73 MB |
| Peak swap size | 7.02 GB |
| Peak disk usage | 3.75 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
00:47:54 (7332): wrapper (7.9.26016): starting
00:47:54 (7332): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_0.pdb
QB_A27_A25_0.xml
QB_A27_A25_equil.pdb
QB_A27_A25.inpcrd
QB_A27_A25_input.yaml
QB_A27_A25_mdlambda.pdb
QB_A27_A25_min.pdb
QB_A27_A25_npt.pdb
QB_A27_A25.pdb
QB_A27_A25.prmtop
QB_A27_A25_sys.xml
QB_A27_A25_therm.pdb
run.bat
run.sh
00:47:57 (7332): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:47:57 (7332): 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\3\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\3\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) : {3835168} normal block at 0x00000120557FD4C0, 8 bytes long.
Data: < U > 00 00 E2 55 20 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x00000120557ED8D0, 1080 bytes long.
Data: < > 88 20 00 00 CD CD CD CD E0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000120557F1580, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:00:00 (19776): wrapper (7.9.26016): starting
21:00:00 (19776): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "C:\ProgramData\BOINC\slots\3\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\openmm_async_re.py", line 443, in __init__
self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommworker.py", line 229, in _openmm_worker_makecontext
self.platform = Platform.getPlatformByName(self.platform_name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
21:01:00 (19776): C:/Windows/system32/cmd.exe exited; CPU time 42.328125
21:01:00 (19776): app exit status: 0x16
21:01:00 (19776): 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: 978274 bytes.
Dumping objects ->
{1601} normal block at 0x000001F99EA44F60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1590} normal block at 0x000001F99EA44CC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1579} normal block at 0x000001F99EA45350, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1568} normal block at 0x000001F99EA44E10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1557} normal block at 0x000001F99EA45200, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1526} normal block at 0x000001F99EA31600, 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) : {1513} normal block at 0x000001F99EA45CC0, 8 bytes long.
Data: < > 00 00 F0 9E F9 01 00 00
{306} normal block at 0x000001F99EA46760, 8 bytes long.
Data: <@l > 40 6C A4 9E F9 01 00 00
{297} normal block at 0x000001F99EA2F1A0, 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 0x000001F99EA46030, 16 bytes long.
Data: <Hk > 48 6B A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F99EA45F90, 16 bytes long.
Data: < k > 20 6B A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F99EA41390, 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 0x000001F99EA464E0, 16 bytes long.
Data: < j > F8 6A A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F99EA45B80, 16 bytes long.
Data: < j > D0 6A A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F99EA45B30, 16 bytes long.
Data: < j > A8 6A A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F99EA45D60, 16 bytes long.
Data: < j > 80 6A A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F99EA44DA0, 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 0x000001F99EA46490, 16 bytes long.
Data: < > 88 02 A3 9E F9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F99EA415D0, 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 0x000001F99EA45AE0, 16 bytes long.
Data: <` > 60 02 A3 9E F9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F99EA46710, 16 bytes long.
Data: <8 > 38 02 A3 9E F9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F99EA45A90, 16 bytes long.
Data: < > 10 02 A3 9E F9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F99EA461C0, 16 bytes long.
Data: < > E8 01 A3 9E F9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F99EA467B0, 16 bytes long.
Data: < > C0 01 A3 9E F9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F99EA45EF0, 16 bytes long.
Data: < > 98 01 A3 9E F9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F99EA414B0, 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 0x000001F99EA45F40, 16 bytes long.
Data: <p > 70 01 A3 9E F9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F99EA30170, 320 bytes long.
Data: <@_ > 40 5F A4 9E F9 01 00 00 B0 14 A4 9E F9 01 00 00
{276} normal block at 0x000001F99EA45C20, 16 bytes long.
Data: <`j > 60 6A A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F99EA45950, 16 bytes long.
Data: <8j > 38 6A A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F99EA412D0, 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 0x000001F99EA459F0, 16 bytes long.
Data: < j > 10 6A A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F99EA40E50, 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 0x000001F99EA465D0, 16 bytes long.
Data: <Xi > 58 69 A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F99EA45BD0, 16 bytes long.
Data: <0i > 30 69 A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F99EA466C0, 16 bytes long.
Data: < i > 08 69 A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F99EA463F0, 16 bytes long.
Data: < h > E0 68 A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F99EA45A40, 16 bytes long.
Data: < h > B8 68 A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F99EA462B0, 16 bytes long.
Data: < h > 90 68 A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F99EA45900, 16 bytes long.
Data: <PL > 50 4C A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F99EA44C50, 40 bytes long.
Data: < Y > 00 59 A4 9E F9 01 00 00 00 16 A3 9E F9 01 00 00
{262} normal block at 0x000001F99EA458B0, 16 bytes long.
Data: <ph > 70 68 A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F99EA46350, 16 bytes long.
Data: <Hh > 48 68 A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F99EA41330, 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 0x000001F99EA45FE0, 16 bytes long.
Data: < h > 20 68 A4 9E F9 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F99EA46820, 992 bytes long.
Data: < _ 0 > E0 5F A4 9E F9 01 00 00 30 13 A4 9E F9 01 00 00
{94} normal block at 0x000001F99EA41BD0, 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 0x000001F99EA3DE30, 16 bytes long.
Data: <0 > 30 D4 A2 9E F9 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001F99EA2D430, 40 bytes long.
Data: <0 > 30 DE A3 9E F9 01 00 00 D0 1B A4 9E F9 01 00 00
{71} normal block at 0x000001F99EA3D390, 16 bytes long.
Data: < )0 > 80 EA 29 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F99EA3DE80, 16 bytes long.
Data: <@ )0 > 40 E9 29 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F99EA3D110, 16 bytes long.
Data: < W&0 > F8 57 26 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F99EA3DA70, 16 bytes long.
Data: < W&0 > D8 57 26 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F99EA3D020, 16 bytes long.
Data: <P &0 > 50 04 26 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F99EA3D0C0, 16 bytes long.
Data: <0 &0 > 30 04 26 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F99EA3D660, 16 bytes long.
Data: < &0 > E0 02 26 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F99EA3DAC0, 16 bytes long.
Data: < &0 > 10 04 26 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F99EA3DDE0, 16 bytes long.
Data: <p &0 > 70 04 26 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F99EA3D6B0, 16 bytes long.
Data: < $0 > 18 C0 24 30 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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