Task 38597922
| Name | PTP1B_A10_A15_r0_4-QUICO_ATM_GAFF2_NAGL_PTP1B-0-6-RND3899_1 |
| Workunit | 31553547 |
| Created | 8 Apr 2026, 8:26:00 UTC |
| Sent | 8 Apr 2026, 8:42:06 UTC |
| Report deadline | 13 Apr 2026, 8:42:06 UTC |
| Received | 8 Apr 2026, 10:22:09 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643393 |
| Run time | 8 min 53 sec |
| CPU time | 7 min 18 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,753.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 516.57 MB |
| Peak swap size | 3.69 GB |
| Peak disk usage | 2.78 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>
12:12:45 (5364): wrapper (7.9.26016): starting
12:12:45 (5364): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A15_0.pdb
QB_A10_A15_0.xml
QB_A10_A15.inpcrd
QB_A10_A15_input.yaml
QB_A10_A15.pdb
QB_A10_A15.prmtop
QB_A10_A15_sys.xml
run.bat
run.sh
12:12:46 (5364): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:12:46 (5364): 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\20\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\20\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 "C:\ProgramData\BOINC\slots\20\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\20\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\20\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\20\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\20\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\20\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\20\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\20\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_LAUNCH_FAILED (719)
12:20:16 (5364): C:/Windows/system32/cmd.exe exited; CPU time 438.640625
12:20:16 (5364): app exit status: 0x16
12:20:16 (5364): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 6084477 bytes.
Dumping objects ->
{3835224} normal block at 0x000001C8666A8AB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835213} normal block at 0x000001C8666A8730, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835202} normal block at 0x000001C8666A82D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835191} normal block at 0x000001C8666A8960, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000001C8666A8E30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835149} normal block at 0x000001C866709FF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835138} normal block at 0x000001C86661BFD0, 141 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) : {3835135} normal block at 0x000001C864BC77A0, 8 bytes long.
Data: < bfÈ > 00 00 62 66 C8 01 00 00
{3834537} normal block at 0x000001C86661CA60, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000001C864BC7930, 8 bytes long.
Data: <@åÊdÈ > 40 E5 CA 64 C8 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001C864BD0060, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C864BBA050, 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 0x000001C864BD1AA0, 16 bytes long.
Data: < &½dÈ > 98 26 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C864BD1F00, 16 bytes long.
Data: <p&½dÈ > 70 26 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C864BCAA40, 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 0x000001C864BD1410, 16 bytes long.
Data: <H&½dÈ > 48 26 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C864BD1460, 16 bytes long.
Data: < &½dÈ > 20 26 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C864BD1A50, 16 bytes long.
Data: <ø%½dÈ > F8 25 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C864BD1190, 16 bytes long.
Data: <Ð%½dÈ > D0 25 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C864BCC030, 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 0x000001C864BD1DC0, 16 bytes long.
Data: <(P»dÈ > 28 50 BB 64 C8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C864BCA9E0, 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 0x000001C864BD1780, 16 bytes long.
Data: < P»dÈ > 00 50 BB 64 C8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C864BD1730, 16 bytes long.
Data: <ØO»dÈ > D8 4F BB 64 C8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C864BD1690, 16 bytes long.
Data: <°O»dÈ > B0 4F BB 64 C8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C864BD17D0, 16 bytes long.
Data: < O»dÈ > 88 4F BB 64 C8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C864BD12D0, 16 bytes long.
Data: <`O»dÈ > 60 4F BB 64 C8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C864BD18C0, 16 bytes long.
Data: <8O»dÈ > 38 4F BB 64 C8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C864BC9EA0, 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 0x000001C864BD1B90, 16 bytes long.
Data: < O»dÈ > 10 4F BB 64 C8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C864BB4F10, 320 bytes long.
Data: < ½dÈ  ž¼dÈ > 90 1B BD 64 C8 01 00 00 A0 9E BC 64 C8 01 00 00
{273} normal block at 0x000001C864BD1BE0, 16 bytes long.
Data: <°%½dÈ > B0 25 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C864BD1640, 16 bytes long.
Data: < %½dÈ > 88 25 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C864BCA7A0, 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 0x000001C864BD1140, 16 bytes long.
Data: <`%½dÈ > 60 25 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C864BCA020, 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 0x000001C864BD15F0, 16 bytes long.
Data: <¨$½dÈ > A8 24 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C864BD10F0, 16 bytes long.
Data: < $½dÈ > 80 24 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C864BD1A00, 16 bytes long.
Data: <X$½dÈ > 58 24 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C864BD1B40, 16 bytes long.
Data: <0$½dÈ > 30 24 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C864BD1370, 16 bytes long.
Data: < $½dÈ > 08 24 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C864BD15A0, 16 bytes long.
Data: <à#½dÈ > E0 23 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C864BD16E0, 16 bytes long.
Data: < ļdÈ > 20 C4 BC 64 C8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C864BCC420, 40 bytes long.
Data: <à ½dÈ ðŸpfÈ > E0 16 BD 64 C8 01 00 00 F0 9F 70 66 C8 01 00 00
{259} normal block at 0x000001C864BD1D70, 16 bytes long.
Data: <À#½dÈ > C0 23 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C864BD0FB0, 16 bytes long.
Data: < #½dÈ > 98 23 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C864BCA740, 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 0x000001C864BD1550, 16 bytes long.
Data: <p#½dÈ > 70 23 BD 64 C8 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001C864BD2370, 992 bytes long.
Data: <P ½dÈ @§¼dÈ > 50 15 BD 64 C8 01 00 00 40 A7 BC 64 C8 01 00 00
{91} normal block at 0x000001C864BCA6E0, 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 0x000001C864BC76B0, 16 bytes long.
Data: <@üdÈ > 40 C3 BC 64 C8 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001C864BCC340, 40 bytes long.
Data: <°v¼dÈ à¦¼dÈ > B0 76 BC 64 C8 01 00 00 E0 A6 BC 64 C8 01 00 00
{68} normal block at 0x000001C864BC79D0, 16 bytes long.
Data: < ê²Wö > 80 EA B2 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C864BC7F70, 16 bytes long.
Data: <@é²Wö > 40 E9 B2 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C864BC7C50, 16 bytes long.
Data: <øW¯Wö > F8 57 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C864BC7070, 16 bytes long.
Data: <ØW¯Wö > D8 57 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C864BC7C00, 16 bytes long.
Data: <P ¯Wö > 50 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C864BC7890, 16 bytes long.
Data: <0 ¯Wö > 30 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C864BC7200, 16 bytes long.
Data: <à ¯Wö > E0 02 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C864BC7110, 16 bytes long.
Data: < ¯Wö > 10 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C864BC7660, 16 bytes long.
Data: <p ¯Wö > 70 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C864BC7D40, 16 bytes long.
Data: < À­Wö > 18 C0 AD 57 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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