Task 38617571
| Name | hif2a_2_A33_A12_r0_1-QUICO_ATM_OpenFF_NAGL_hif2a_2-2-6-RND9815_0 |
| Workunit | 31569213 |
| Created | 18 Apr 2026, 5:30:24 UTC |
| Sent | 18 Apr 2026, 5:30:40 UTC |
| Report deadline | 23 Apr 2026, 5:30:40 UTC |
| Received | 18 Apr 2026, 5:42:52 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652138 |
| Run time | 49 sec |
| CPU time | 13 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,071.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 244.76 MB |
| Peak swap size | 10.38 GB |
| Peak disk usage | 2.78 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
���̃I�y���[�e�B���O �V�X�e���ł� (null) �͎��s����܂���B
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:38:29 (26904): wrapper (7.9.26016): starting
14:38:29 (26904): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A33_A12_0.pdb
QB_A33_A12_0.xml
QB_A33_A12.inpcrd
QB_A33_A12_input.yaml
QB_A33_A12.pdb
QB_A33_A12.prmtop
QB_A33_A12_sys.xml
run.bat
run.sh
14:38:30 (26904): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:38:30 (26904): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835288} normal block at 0x0000024B5DE6D9C0, 8 bytes long.
Data: < ]K > 00 00 DF 5D 4B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834044} normal block at 0x0000024B5FE378F0, 1080 bytes long.
Data: < h > D4 68 00 00 CD CD CD CD 9C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000024B5DE67180, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:40:53 (22328): wrapper (7.9.26016): starting
14:40:53 (22328): 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 'F:\BOINC\BOINCƒf[ƒ^\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 'F:\BOINC\BOINCƒf[ƒ^\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.
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\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 "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 229, in _openmm_worker_makecontext
self.platform = Platform.getPlatformByName(self.platform_name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
14:41:41 (22328): C:/Windows/system32/cmd.exe exited; CPU time 13.109375
14:41:41 (22328): app exit status: 0x16
14:41:41 (22328): 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: 614542 bytes.
Dumping objects ->
{1634} normal block at 0x0000011DAF793D00, 48 bytes long.
Data: <PATH=F:\BOINC\BO> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F
{1623} normal block at 0x0000011DAF793910, 48 bytes long.
Data: <HOME=F:\BOINC\BO> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F
{1612} normal block at 0x0000011DAF793C20, 48 bytes long.
Data: <TMP=F:\BOINC\BOI> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F 49
{1601} normal block at 0x0000011DAF793C90, 48 bytes long.
Data: <TEMP=F:\BOINC\BO> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F
{1590} normal block at 0x0000011DAF793AD0, 48 bytes long.
Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C
{1559} normal block at 0x0000011DAF782EC0, 64 bytes long.
Data: <PATH=F:\BOINC\BO> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F
..\api\boinc_api.cpp(309) : {1546} normal block at 0x0000011DAF799220, 8 bytes long.
Data: < > 00 00 D8 AF 1D 01 00 00
{303} normal block at 0x0000011DAF799CC0, 8 bytes long.
Data: < y > C0 A4 79 AF 1D 01 00 00
{294} normal block at 0x0000011DAF786490, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000011DAF7996D0, 16 bytes long.
Data: < y > C8 A3 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000011DAF799770, 16 bytes long.
Data: < y > A0 A3 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000011DAF795DF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000011DAF799180, 16 bytes long.
Data: <x y > 78 A3 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000011DAF799860, 16 bytes long.
Data: <P y > 50 A3 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000011DAF7990E0, 16 bytes long.
Data: <( y > 28 A3 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000011DAF799AE0, 16 bytes long.
Data: < y > 00 A3 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000011DAF7938A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000011DAF7993B0, 16 bytes long.
Data: <X.x > 58 2E 78 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000011DAF7953D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000011DAF799F90, 16 bytes long.
Data: <0.x > 30 2E 78 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000011DAF799950, 16 bytes long.
Data: < .x > 08 2E 78 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000011DAF799EF0, 16 bytes long.
Data: < -x > E0 2D 78 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000011DAF799900, 16 bytes long.
Data: < -x > B8 2D 78 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000011DAF7995E0, 16 bytes long.
Data: < -x > 90 2D 78 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000011DAF799590, 16 bytes long.
Data: <h-x > 68 2D 78 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000011DAF795EB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000011DAF799EA0, 16 bytes long.
Data: <@-x > 40 2D 78 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000011DAF782D40, 320 bytes long.
Data: < y ^y > A0 9E 79 AF 1D 01 00 00 B0 5E 79 AF 1D 01 00 00
{273} normal block at 0x0000011DAF799A40, 16 bytes long.
Data: < y > E0 A2 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000011DAF799E00, 16 bytes long.
Data: < y > B8 A2 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000011DAF795130, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000011DAF799C20, 16 bytes long.
Data: < y > 90 A2 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000011DAF795E50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000011DAF799270, 16 bytes long.
Data: < y > D8 A1 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000011DAF799BD0, 16 bytes long.
Data: < y > B0 A1 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000011DAF799720, 16 bytes long.
Data: < y > 88 A1 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000011DAF799540, 16 bytes long.
Data: <` y > 60 A1 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000011DAF7999F0, 16 bytes long.
Data: <8 y > 38 A1 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000011DAF799450, 16 bytes long.
Data: < y > 10 A1 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000011DAF799130, 16 bytes long.
Data: <p=y > 70 3D 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000011DAF793D70, 40 bytes long.
Data: <0 y .x > 30 91 79 AF 1D 01 00 00 C0 2E 78 AF 1D 01 00 00
{259} normal block at 0x0000011DAF79A030, 16 bytes long.
Data: < y > F0 A0 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000011DAF799680, 16 bytes long.
Data: < y > C8 A0 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000011DAF7957F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000011DAF799DB0, 16 bytes long.
Data: < y > A0 A0 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000011DAF79A0A0, 992 bytes long.
Data: < y Wy > B0 9D 79 AF 1D 01 00 00 F0 57 79 AF 1D 01 00 00
{91} normal block at 0x0000011DAF795070, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000011DAF78D970, 16 bytes long.
Data: <08y > 30 38 79 AF 1D 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000011DAF793830, 40 bytes long.
Data: <p x pPy > 70 D9 78 AF 1D 01 00 00 70 50 79 AF 1D 01 00 00
{66} normal block at 0x0000011DAF78D790, 16 bytes long.
Data: < > 80 EA F0 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000011DAF78DFB0, 16 bytes long.
Data: <@ > 40 E9 F0 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000011DAF78DDD0, 16 bytes long.
Data: < W > F8 57 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000011DAF78D150, 16 bytes long.
Data: < W > D8 57 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000011DAF78DC90, 16 bytes long.
Data: <P > 50 04 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000011DAF78D650, 16 bytes long.
Data: <0 > 30 04 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000011DAF78DA10, 16 bytes long.
Data: < > E0 02 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000011DAF78D880, 16 bytes long.
Data: < > 10 04 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000011DAF78DF60, 16 bytes long.
Data: <p > 70 04 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000011DAF78DBA0, 16 bytes long.
Data: < > 18 C0 EB 1E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra