Task 38588405
| Name | p38_A17_A24_r0_4-QUICO_ATM_GAFF2_LOMAP_P38_2-0-6-RND0594_0 |
| Workunit | 31549845 |
| Created | 13 Jan 2026, 9:04:16 UTC |
| Sent | 13 Jan 2026, 9:04:27 UTC |
| Report deadline | 18 Jan 2026, 9:04:27 UTC |
| Received | 13 Jan 2026, 9:18:05 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 647011 |
| Run time | 1 min 45 sec |
| CPU time | 9 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 7,471.65 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 146.35 MB |
| Peak swap size | 2.02 GB |
| Peak disk usage | 1.42 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
���ϵͳ������ (null)��
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:15:09 (47300): wrapper (7.9.26016): starting
17:15:09 (47300): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A17_A24_0.pdb
QB_A17_A24_0.xml
QB_A17_A24_equil.pdb
QB_A17_A24.inpcrd
QB_A17_A24_input.yaml
QB_A17_A24_mdlambda.pdb
QB_A17_A24_min.pdb
QB_A17_A24_npt.pdb
QB_A17_A24.pdb
QB_A17_A24.prmtop
QB_A17_A24_sys.xml
QB_A17_A24_therm.pdb
run.bat
run.sh
17:15:12 (47300): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:15:12 (47300): 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:\BOINCÊý¾Ý\slots\0\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:\BOINCÊý¾Ý\slots\0\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.
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:\BOINCÊý¾Ý\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINCÊý¾Ý\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\BOINCÊý¾Ý\slots\0\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 "D:\BOINCÊý¾Ý\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "D:\BOINCÊý¾Ý\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "D:\BOINCÊý¾Ý\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 229, in _openmm_worker_makecontext
self.platform = Platform.getPlatformByName(self.platform_name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINCÊý¾Ý\slots\0\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
17:16:22 (47300): C:/Windows/system32/cmd.exe exited; CPU time 9.406250
17:16:22 (47300): app exit status: 0x16
17:16:22 (47300): 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: 1500691 bytes.
Dumping objects ->
{3835310} normal block at 0x000001EE888E54C0, 48 bytes long.
Data: <PATH=D:\BOINC > 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 CA FD BE
{3835299} normal block at 0x000001EE8A8252A0, 32 bytes long.
Data: <HOME=D:\BOINC > 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 CA FD BE
{3835288} normal block at 0x000001EE8A8246A0, 32 bytes long.
Data: <TMP=D:\BOINC > 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 CA FD BE DD
{3835277} normal block at 0x000001EE8A8244C0, 32 bytes long.
Data: <TEMP=D:\BOINC > 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 CA FD BE
{3835266} normal block at 0x000001EE8A8241C0, 32 bytes long.
Data: <TMPDIR=D:\BOINC > 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 CA
{3835235} normal block at 0x000001EE888E5370, 48 bytes long.
Data: <PATH=D:\BOINC > 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 CA FD BE
..\api\boinc_api.cpp(309) : {3835222} normal block at 0x000001EE888DDD70, 8 bytes long.
Data: < > 00 00 8A 88 EE 01 00 00
{3834037} normal block at 0x000001EE888DDAF0, 8 bytes long.
Data: < > E0 D7 8C 88 EE 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001EE888D1630, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EE888D1C90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001EE888E60F0, 16 bytes long.
Data: <Ho > 48 6F 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EE888E5E20, 16 bytes long.
Data: < o > 20 6F 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EE888DF960, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001EE888E66E0, 16 bytes long.
Data: < n > F8 6E 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EE888E6870, 16 bytes long.
Data: < n > D0 6E 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EE888E6690, 16 bytes long.
Data: < n > A8 6E 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EE888E6050, 16 bytes long.
Data: < n > 80 6E 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EE888E5300, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001EE888E62D0, 16 bytes long.
Data: < > 98 B5 8C 88 EE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EE888E0440, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001EE888E5DD0, 16 bytes long.
Data: <p > 70 B5 8C 88 EE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EE888E5D80, 16 bytes long.
Data: <H > 48 B5 8C 88 EE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EE888E5B00, 16 bytes long.
Data: < > 20 B5 8C 88 EE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EE888E65A0, 16 bytes long.
Data: < > F8 B4 8C 88 EE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EE888E6320, 16 bytes long.
Data: < > D0 B4 8C 88 EE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EE888E5D30, 16 bytes long.
Data: < > A8 B4 8C 88 EE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EE888DFEA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001EE888E5CE0, 16 bytes long.
Data: < > 80 B4 8C 88 EE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EE888CB480, 320 bytes long.
Data: < \ > E0 5C 8E 88 EE 01 00 00 A0 FE 8D 88 EE 01 00 00
{271} normal block at 0x000001EE888E64B0, 16 bytes long.
Data: <`n > 60 6E 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EE888E5C90, 16 bytes long.
Data: <8n > 38 6E 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EE888E0320, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001EE888E5F60, 16 bytes long.
Data: < n > 10 6E 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EE888DF840, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001EE888E6280, 16 bytes long.
Data: <Xm > 58 6D 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EE888E6460, 16 bytes long.
Data: <0m > 30 6D 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EE888E6640, 16 bytes long.
Data: < m > 08 6D 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EE888E5FB0, 16 bytes long.
Data: < l > E0 6C 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EE888E6910, 16 bytes long.
Data: < l > B8 6C 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EE888E63C0, 16 bytes long.
Data: < l > 90 6C 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EE888E5BF0, 16 bytes long.
Data: < R > 20 52 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001EE888E5220, 40 bytes long.
Data: < [ pS > F0 5B 8E 88 EE 01 00 00 70 53 8E 88 EE 01 00 00
{257} normal block at 0x000001EE888E5B50, 16 bytes long.
Data: <pl > 70 6C 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001EE888E5EC0, 16 bytes long.
Data: <Hl > 48 6C 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001EE888DFFC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001EE888E6960, 16 bytes long.
Data: < l > 20 6C 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001EE888E6C20, 992 bytes long.
Data: <`i > 60 69 8E 88 EE 01 00 00 C0 FF 8D 88 EE 01 00 00
{89} normal block at 0x000001EE888DFD20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001EE888DD780, 16 bytes long.
Data: < > B0 0E 8E 88 EE 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001EE888E0EB0, 40 bytes long.
Data: < > 80 D7 8D 88 EE 01 00 00 20 FD 8D 88 EE 01 00 00
{64} normal block at 0x000001EE888DE180, 16 bytes long.
Data: < = > 80 EA 3D 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EE888DDE60, 16 bytes long.
Data: <@ = > 40 E9 3D 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EE888DD690, 16 bytes long.
Data: < W: > F8 57 3A 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EE888DDA00, 16 bytes long.
Data: < W: > D8 57 3A 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001EE888DD5A0, 16 bytes long.
Data: <P : > 50 04 3A 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001EE888DD6E0, 16 bytes long.
Data: <0 : > 30 04 3A 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001EE888DD820, 16 bytes long.
Data: < : > E0 02 3A 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001EE888DD550, 16 bytes long.
Data: < : > 10 04 3A 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001EE888DD960, 16 bytes long.
Data: <p : > 70 04 3A 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001EE888DD640, 16 bytes long.
Data: < 8 > 18 C0 38 98 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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