Task 38624838
| Name | cdk8_A06_A26_r0_4-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND0022_0 |
| Workunit | 31575182 |
| Created | 23 Apr 2026, 8:38:32 UTC |
| Sent | 23 Apr 2026, 8:38:43 UTC |
| Report deadline | 28 Apr 2026, 8:38:43 UTC |
| Received | 23 Apr 2026, 19:35:41 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 639498 |
| Run time | 3 min 17 sec |
| CPU time | 32 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 4,086.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 408.66 MB |
| Peak swap size | 1.74 GB |
| Peak disk usage | 2.29 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:33:09 (3348): wrapper (7.9.26016): starting
13:33:10 (3348): 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
13:33:12 (3348): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:33:12 (3348): 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 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\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\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\0\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\0\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'
13:34:04 (3348): C:/Windows/system32/cmd.exe exited; CPU time 32.000000
13:34:04 (3348): app exit status: 0x16
13:34:04 (3348): called boinc_finish(195)
0 bytes in 0 Free Blocks.
726 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: 553275 bytes.
Dumping objects ->
{3835280} normal block at 0x00000243ADB912C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835269} normal block at 0x00000243ADB90B50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835258} normal block at 0x00000243ADB90DF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835247} normal block at 0x00000243ADB90D10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x00000243ADB915D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835205} normal block at 0x00000243ADC84830, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x00000243AC2221C0, 235 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) : {3835190} normal block at 0x00000243AC221E10, 8 bytes long.
Data: < ¬C > 00 00 1B AC 43 02 00 00
{3834573} normal block at 0x00000243AC222ED0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x00000243AC2219B0, 8 bytes long.
Data: <@ έC > 40 0E CE AD 43 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000243AC220970, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000243AC2220C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000243AC223910, 16 bytes long.
Data: <¨4"¬C > A8 34 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000243AC223AA0, 16 bytes long.
Data: < 4"¬C > 80 34 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000243AC21C8F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x00000243AC2238C0, 16 bytes long.
Data: <X4"¬C > 58 34 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000243AC2237D0, 16 bytes long.
Data: <04"¬C > 30 34 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000243AC223640, 16 bytes long.
Data: < 4"¬C > 08 34 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000243AC223780, 16 bytes long.
Data: <à3"¬C > E0 33 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000243AC21B4A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000243AC223AF0, 16 bytes long.
Data: <X "¬C > 58 20 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000243AC21CDD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000243AC2236E0, 16 bytes long.
Data: <0 "¬C > 30 20 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000243AC223A50, 16 bytes long.
Data: < "¬C > 08 20 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000243AC2235F0, 16 bytes long.
Data: <à "¬C > E0 1F 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000243AC223C30, 16 bytes long.
Data: <¸ "¬C > B8 1F 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000243AC223BE0, 16 bytes long.
Data: < "¬C > 90 1F 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000243AC223D20, 16 bytes long.
Data: <h "¬C > 68 1F 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000243AC21D010, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{270} normal block at 0x00000243AC223CD0, 16 bytes long.
Data: <@ "¬C > 40 1F 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000243AC221F40, 320 bytes long.
Data: <Ð<"¬C Ð!¬C > D0 3C 22 AC 43 02 00 00 10 D0 21 AC 43 02 00 00
{268} normal block at 0x00000243AC223B40, 16 bytes long.
Data: <À3"¬C > C0 33 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000243AC223690, 16 bytes long.
Data: < 3"¬C > 98 33 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000243AC21C890, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x00000243AC223870, 16 bytes long.
Data: <p3"¬C > 70 33 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000243AC21CF50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x00000243AC223730, 16 bytes long.
Data: <¸2"¬C > B8 32 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000243AC2239B0, 16 bytes long.
Data: < 2"¬C > 90 32 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000243AC223820, 16 bytes long.
Data: <h2"¬C > 68 32 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000243AC223C80, 16 bytes long.
Data: <@2"¬C > 40 32 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000243AC223960, 16 bytes long.
Data: < 2"¬C > 18 32 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000243AC21D8F0, 16 bytes long.
Data: <ð1"¬C > F0 31 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000243AC21DDF0, 16 bytes long.
Data: <@·!¬C > 40 B7 21 AC 43 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000243AC21B740, 40 bytes long.
Data: <ðÝ!¬C 0HÈ­C > F0 DD 21 AC 43 02 00 00 30 48 C8 AD 43 02 00 00
{254} normal block at 0x00000243AC21DC60, 16 bytes long.
Data: <Ð1"¬C > D0 31 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000243AC21DB20, 16 bytes long.
Data: <¨1"¬C > A8 31 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000243AC21D5B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000243AC21DAD0, 16 bytes long.
Data: < 1"¬C > 80 31 22 AC 43 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000243AC223180, 992 bytes long.
Data: <ÐÚ!¬C °Õ!¬C > D0 DA 21 AC 43 02 00 00 B0 D5 21 AC 43 02 00 00
{86} normal block at 0x00000243AC21CA10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000243AC21DDA0, 16 bytes long.
Data: <ж!¬C > D0 B6 21 AC 43 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000243AC21B6D0, 40 bytes long.
Data: < Ý!¬C Ê!¬C > A0 DD 21 AC 43 02 00 00 10 CA 21 AC 43 02 00 00
{63} normal block at 0x00000243AC21DA80, 16 bytes long.
Data: < êðDö > 80 EA F0 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000243AC21D8A0, 16 bytes long.
Data: <@éðDö > 40 E9 F0 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000243AC21D9E0, 16 bytes long.
Data: <øWíDö > F8 57 ED 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000243AC21DEE0, 16 bytes long.
Data: <ØWíDö > D8 57 ED 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000243AC21DF30, 16 bytes long.
Data: <P íDö > 50 04 ED 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000243AC21DCB0, 16 bytes long.
Data: <0 íDö > 30 04 ED 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000243AC21D990, 16 bytes long.
Data: <à íDö > E0 02 ED 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000243AC21DE40, 16 bytes long.
Data: < íDö > 10 04 ED 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000243AC21DD00, 16 bytes long.
Data: <p íDö > 70 04 ED 44 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000243AC21DF80, 16 bytes long.
Data: < ÀëDö > 18 C0 EB 44 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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