Task 38607177
| Name | CDK2_A16_A10_r0_1-QUICO_ATM_GAFF2_NAGL_CDK2-0-6-RND2362_0 |
| Workunit | 31560826 |
| Created | 14 Apr 2026, 8:42:43 UTC |
| Sent | 14 Apr 2026, 8:53:18 UTC |
| Report deadline | 19 Apr 2026, 8:53:18 UTC |
| Received | 17 Apr 2026, 20:57:53 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 646098 |
| Run time | 2 hours 28 min 28 sec |
| CPU time | 2 hours 22 min |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 21,610.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 705.47 MB |
| Peak swap size | 8.50 GB |
| Peak disk usage | 3.04 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
02:59:10 (19500): wrapper (7.9.26016): starting
02:59:10 (19500): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A16_A10_0.pdb
QB_A16_A10_0.xml
QB_A16_A10.inpcrd
QB_A16_A10_input.yaml
QB_A16_A10.pdb
QB_A16_A10.prmtop
QB_A16_A10_sys.xml
run.bat
run.sh
02:59:12 (19500): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:59:12 (19500): 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\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 'C:\ProgramData\BOINC\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 "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\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\0\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\0\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_ILLEGAL_ADDRESS (700)
10:48:47 (28268): wrapper (7.9.26016): starting
10:48:47 (28268): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
14:54:23 (28268): C:/Windows/system32/cmd.exe exited; CPU time 14123.953125
14:54:23 (28268): app exit status: 0x40010004
14:54:23 (28268): 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: 309137898 bytes.
Dumping objects ->
{1827} normal block at 0x000002AEE7B309D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1816} normal block at 0x000002AEE7B30A40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1805} normal block at 0x000002AEE7B30340, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1794} normal block at 0x000002AEE7B30880, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1783} normal block at 0x000002AEE7B305E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1752} normal block at 0x000002AEE7B1F3D0, 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) : {1739} normal block at 0x000002AEE7B35D90, 8 bytes long.
Data: < > 00 00 F1 E7 AE 02 00 00
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{296} normal block at 0x000002AEE7B21B60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000002AEE7B35BB0, 16 bytes long.
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{294} normal block at 0x000002AEE7B35F70, 16 bytes long.
Data: < g > 90 67 B3 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002AEE7B31A20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000002AEE7B357F0, 16 bytes long.
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{291} normal block at 0x000002AEE7B35D40, 16 bytes long.
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{290} normal block at 0x000002AEE7B36290, 16 bytes long.
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{289} normal block at 0x000002AEE7B36240, 16 bytes long.
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{288} normal block at 0x000002AEE7B30730, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000002AEE7B35B60, 16 bytes long.
Data: < > 08 19 B2 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002AEE7B30CA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000002AEE7B35930, 16 bytes long.
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{283} normal block at 0x000002AEE7B36150, 16 bytes long.
Data: < > B8 18 B2 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002AEE7B36100, 16 bytes long.
Data: < > 90 18 B2 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002AEE7B35F20, 16 bytes long.
Data: <h > 68 18 B2 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002AEE7B357A0, 16 bytes long.
Data: <@ > 40 18 B2 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002AEE7B361F0, 16 bytes long.
Data: < > 18 18 B2 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002AEE7B319C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000002AEE7B35CF0, 16 bytes long.
Data: < > F0 17 B2 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002AEE7B217F0, 320 bytes long.
Data: < \ > F0 5C B3 E7 AE 02 00 00 C0 19 B3 E7 AE 02 00 00
{275} normal block at 0x000002AEE7B35DE0, 16 bytes long.
Data: < f > D0 66 B3 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002AEE7B35520, 16 bytes long.
Data: < f > A8 66 B3 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002AEE7B31840, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000002AEE7B36380, 16 bytes long.
Data: < f > 80 66 B3 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002AEE7B30F40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000002AEE7B35C00, 16 bytes long.
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{269} normal block at 0x000002AEE7B35B10, 16 bytes long.
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{268} normal block at 0x000002AEE7B35CA0, 16 bytes long.
Data: <xe > 78 65 B3 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002AEE7B35A70, 16 bytes long.
Data: <Pe > 50 65 B3 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002AEE7B35C50, 16 bytes long.
Data: <(e > 28 65 B3 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002AEE7B356B0, 16 bytes long.
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{263} normal block at 0x000002AEE7B35A20, 16 bytes long.
Data: < > F0 08 B3 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002AEE7B308F0, 40 bytes long.
Data: < Z > 20 5A B3 E7 AE 02 00 00 D0 F3 B1 E7 AE 02 00 00
{261} normal block at 0x000002AEE7B360B0, 16 bytes long.
Data: < d > E0 64 B3 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002AEE7B359D0, 16 bytes long.
Data: < d > B8 64 B3 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002AEE7B312A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000002AEE7B35980, 16 bytes long.
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{257} normal block at 0x000002AEE7B36490, 992 bytes long.
Data: < Y > 80 59 B3 E7 AE 02 00 00 A0 12 B3 E7 AE 02 00 00
{93} normal block at 0x000002AEE7B31000, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000002AEE7B2E070, 16 bytes long.
Data: <` > 60 09 B3 E7 AE 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002AEE7B30960, 40 bytes long.
Data: <p > 70 E0 B2 E7 AE 02 00 00 00 10 B3 E7 AE 02 00 00
{70} normal block at 0x000002AEE7B2DC60, 16 bytes long.
Data: < } > 80 EA 7D EC F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002AEE7B2DA80, 16 bytes long.
Data: <@ } > 40 E9 7D EC F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002AEE7B2DC10, 16 bytes long.
Data: < Wz > F8 57 7A EC F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002AEE7B2E020, 16 bytes long.
Data: < Wz > D8 57 7A EC F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002AEE7B2E110, 16 bytes long.
Data: <P z > 50 04 7A EC F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002AEE7B2D260, 16 bytes long.
Data: <0 z > 30 04 7A EC F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002AEE7B2DBC0, 16 bytes long.
Data: < z > E0 02 7A EC F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002AEE7B2D1C0, 16 bytes long.
Data: < z > 10 04 7A EC F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002AEE7B2D800, 16 bytes long.
Data: <p z > 70 04 7A EC F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002AEE7B2D3A0, 16 bytes long.
Data: < x > 18 C0 78 EC F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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