Task 38638214
| Name | cdk8_A06_A26_r0_5-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND4461_5 |
| Workunit | 31575183 |
| Created | 30 Apr 2026, 3:04:26 UTC |
| Sent | 30 Apr 2026, 3:04:45 UTC |
| Report deadline | 5 May 2026, 3:04:45 UTC |
| Received | 30 Apr 2026, 3:08:42 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 561721 |
| Run time | 2 min 30 sec |
| CPU time | 16 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 15,148.69 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 448.88 MB |
| Peak swap size | 16.80 GB |
| Peak disk usage | 3.70 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
05:07:06 (24188): wrapper (7.9.26016): starting
05:07:06 (24188): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A26.inpcrd
QB_A06_A26_input.yaml
QB_A06_A26.pdb
QB_A06_A26.prmtop
QB_A06_A26_sys.xml
run.bat
run.sh
05:07:08 (24188): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:07:08 (24188): 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\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 'C:\ProgramData\BOINC\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 "C:\ProgramData\BOINC\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 265, in _openmm_worker_makecontext
self.simulation.loadState(self.basename + "_0.xml")
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\app\simulation.py", line 359, in loadState
with open(file, 'r') as f:
^^^^^^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A06_A26_0.xml'
05:07:44 (24188): C:/Windows/system32/cmd.exe exited; CPU time 16.921875
05:07:44 (24188): app exit status: 0x16
05:07:44 (24188): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 505521 bytes.
Dumping objects ->
{3835628} normal block at 0x0000018CBF996AE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835617} normal block at 0x0000018CBF996A00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835606} normal block at 0x0000018CBF997870, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835595} normal block at 0x0000018CBF9972C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835584} normal block at 0x0000018CBF997090, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835553} normal block at 0x0000018CC177CDE0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835542} normal block at 0x0000018CC17DE2C0, 102 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) : {3835539} normal block at 0x0000018CBF966C00, 8 bytes long.
Data: < ‘¿Œ > 00 00 91 BF 8C 01 00 00
{3834719} normal block at 0x0000018CC17DEBB0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x0000018CBF966AC0, 8 bytes long.
Data: <pèmÁŒ > 70 E8 6D C1 8C 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000018CBF972740, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000018CBF955E10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000018CBF973FF0, 16 bytes long.
Data: <8H—¿Œ > 38 48 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000018CBF973780, 16 bytes long.
Data: < H—¿Œ > 10 48 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000018CBF96BFB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000018CBF973730, 16 bytes long.
Data: <èG—¿Œ > E8 47 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018CBF9735A0, 16 bytes long.
Data: <ÀG—¿Œ > C0 47 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000018CBF974450, 16 bytes long.
Data: < G—¿Œ > 98 47 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000018CBF973E60, 16 bytes long.
Data: <pG—¿Œ > 70 47 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018CBF96D010, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000018CBF974130, 16 bytes long.
Data: <¨]•¿Œ > A8 5D 95 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000018CBF96BE30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000018CBF973EB0, 16 bytes long.
Data: < ]•¿Œ > 80 5D 95 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018CBF973D70, 16 bytes long.
Data: <X]•¿Œ > 58 5D 95 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000018CBF9738C0, 16 bytes long.
Data: <0]•¿Œ > 30 5D 95 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018CBF973550, 16 bytes long.
Data: < ]•¿Œ > 08 5D 95 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018CBF974400, 16 bytes long.
Data: <à\•¿Œ > E0 5C 95 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000018CBF974310, 16 bytes long.
Data: <¸\•¿Œ > B8 5C 95 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018CBF96BAD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000018CBF974270, 16 bytes long.
Data: < \•¿Œ > 90 5C 95 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018CBF955C90, 320 bytes long.
Data: <pB—¿Œ к–¿Œ > 70 42 97 BF 8C 01 00 00 D0 BA 96 BF 8C 01 00 00
{279} normal block at 0x0000018CBF973870, 16 bytes long.
Data: <PG—¿Œ > 50 47 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018CBF9744A0, 16 bytes long.
Data: <(G—¿Œ > 28 47 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018CBF96C0D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000018CBF973E10, 16 bytes long.
Data: < G—¿Œ > 00 47 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018CBF96B710, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000018CBF973CD0, 16 bytes long.
Data: <HF—¿Œ > 48 46 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000018CBF973690, 16 bytes long.
Data: < F—¿Œ > 20 46 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018CBF973820, 16 bytes long.
Data: <øE—¿Œ > F8 45 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000018CBF973B90, 16 bytes long.
Data: <ÐE—¿Œ > D0 45 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018CBF973FA0, 16 bytes long.
Data: <¨E—¿Œ > A8 45 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018CBF973F50, 16 bytes long.
Data: < E—¿Œ > 80 45 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000018CBF9742C0, 16 bytes long.
Data: < Ж¿Œ > 80 D0 96 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018CBF96D080, 40 bytes long.
Data: <ÀB—¿Œ àÍwÁŒ > C0 42 97 BF 8C 01 00 00 E0 CD 77 C1 8C 01 00 00
{265} normal block at 0x0000018CBF974180, 16 bytes long.
Data: <`E—¿Œ > 60 45 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000018CBF973AF0, 16 bytes long.
Data: <8E—¿Œ > 38 45 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000018CBF96BCB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000018CBF974220, 16 bytes long.
Data: < E—¿Œ > 10 45 97 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000018CBF974510, 992 bytes long.
Data: < B—¿Œ °¼–¿Œ > 20 42 97 BF 8C 01 00 00 B0 BC 96 BF 8C 01 00 00
{97} normal block at 0x0000018CBF96BEF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000018CBF967100, 16 bytes long.
Data: < Ô–¿Œ > 00 D4 96 BF 8C 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000018CBF96D400, 40 bytes long.
Data: < q–¿Œ ð¾–¿Œ > 00 71 96 BF 8C 01 00 00 F0 BE 96 BF 8C 01 00 00
{74} normal block at 0x0000018CBF966DE0, 16 bytes long.
Data: < ê¾@ö > 80 EA BE 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000018CBF966FC0, 16 bytes long.
Data: <@é¾@ö > 40 E9 BE 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000018CBF9670B0, 16 bytes long.
Data: <øW»@ö > F8 57 BB 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000018CBF9667F0, 16 bytes long.
Data: <ØW»@ö > D8 57 BB 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000018CBF966D90, 16 bytes long.
Data: <P »@ö > 50 04 BB 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000018CBF966840, 16 bytes long.
Data: <0 »@ö > 30 04 BB 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018CBF9674C0, 16 bytes long.
Data: <à »@ö > E0 02 BB 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000018CBF966D40, 16 bytes long.
Data: < »@ö > 10 04 BB 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000018CBF966A20, 16 bytes long.
Data: <p »@ö > 70 04 BB 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000018CBF967060, 16 bytes long.
Data: < À¹@ö > 18 C0 B9 40 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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