Task 38600430
| Name | p38_A27_A32_r0_1-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND9553_3 |
| Workunit | 31553394 |
| Created | 9 Apr 2026, 3:33:31 UTC |
| Sent | 9 Apr 2026, 3:33:43 UTC |
| Report deadline | 14 Apr 2026, 3:33:43 UTC |
| Received | 9 Apr 2026, 3:39:27 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 638552 |
| Run time | 2 min 6 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 20,048.54 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 91.59 MB |
| Peak swap size | 11.93 GB |
| Peak disk usage | 3.54 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
20:37:24 (9836): wrapper (7.9.26016): starting
20:37:24 (9836): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A32_input.yaml
run.bat
run.sh
20:37:25 (9836): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:37:25 (9836): 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 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\pdbfile.py", line 93, in __init__
inputfile = open(file)
^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A27_A32.pdb'
20:37:38 (9836): C:/Windows/system32/cmd.exe exited; CPU time 0.281250
20:37:38 (9836): app exit status: 0x16
20:37:38 (9836): 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: 531183 bytes.
Dumping objects ->
{3835525} normal block at 0x0000018AF8B910A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835514} normal block at 0x0000018AF8B911F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835503} normal block at 0x0000018AF6FC7CE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835492} normal block at 0x0000018AF6FC7960, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835481} normal block at 0x0000018AF6FC7C70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835450} normal block at 0x0000018AF8BDD8E0, 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) : {3835437} normal block at 0x0000018AF6FBE160, 8 bytes long.
Data: < ôöŠ > 00 00 F4 F6 8A 01 00 00
{3833967} normal block at 0x0000018AF6FBE7A0, 8 bytes long.
Data: < lÆøŠ > 90 6C C6 F8 8A 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000018AF6FB69D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000018AF6FB3AD0, 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 0x0000018AF6FC9F70, 16 bytes long.
Data: < ¥üöŠ > 88 A5 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000018AF6FC9930, 16 bytes long.
Data: <`¥üöŠ > 60 A5 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000018AF6FC5090, 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 0x0000018AF6FC98E0, 16 bytes long.
Data: <8¥üöŠ > 38 A5 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018AF6FC97A0, 16 bytes long.
Data: < ¥üöŠ > 10 A5 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000018AF6FC9F20, 16 bytes long.
Data: <è¤üöŠ > E8 A4 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000018AF6FC9D40, 16 bytes long.
Data: <À¤üöŠ > C0 A4 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018AF6FC7AB0, 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 0x0000018AF6FC92F0, 16 bytes long.
Data: <ø ûöŠ > F8 19 FB F6 8A 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000018AF6FC5E10, 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 0x0000018AF6FC97F0, 16 bytes long.
Data: <Ð ûöŠ > D0 19 FB F6 8A 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018AF6FC93E0, 16 bytes long.
Data: <¨ ûöŠ > A8 19 FB F6 8A 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000018AF6FC9750, 16 bytes long.
Data: < ûöŠ > 80 19 FB F6 8A 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018AF6FC9CA0, 16 bytes long.
Data: <X ûöŠ > 58 19 FB F6 8A 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018AF6FC9610, 16 bytes long.
Data: <0 ûöŠ > 30 19 FB F6 8A 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000018AF6FCA150, 16 bytes long.
Data: < ûöŠ > 08 19 FB F6 8A 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018AF6FC5210, 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 0x0000018AF6FC9A20, 16 bytes long.
Data: <à ûöŠ > E0 18 FB F6 8A 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018AF6FB18E0, 320 bytes long.
Data: < šüöŠ RüöŠ > 20 9A FC F6 8A 01 00 00 10 52 FC F6 8A 01 00 00
{279} normal block at 0x0000018AF6FC9660, 16 bytes long.
Data: < ¤üöŠ > A0 A4 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018AF6FC9980, 16 bytes long.
Data: <x¤üöŠ > 78 A4 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018AF6FC59F0, 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 0x0000018AF6FC9430, 16 bytes long.
Data: <P¤üöŠ > 50 A4 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018AF6FC5BD0, 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 0x0000018AF6FC9C50, 16 bytes long.
Data: < £üöŠ > 98 A3 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000018AF6FCA100, 16 bytes long.
Data: <p£üöŠ > 70 A3 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018AF6FC9A70, 16 bytes long.
Data: <H£üöŠ > 48 A3 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000018AF6FC9E80, 16 bytes long.
Data: < £üöŠ > 20 A3 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018AF6FC9840, 16 bytes long.
Data: <ø¢üöŠ > F8 A2 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018AF6FC9390, 16 bytes long.
Data: <ТüöŠ > D0 A2 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000018AF6FC9C00, 16 bytes long.
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{266} normal block at 0x0000018AF6FC76C0, 40 bytes long.
Data: < œüöŠ àؽøŠ > 00 9C FC F6 8A 01 00 00 E0 D8 BD F8 8A 01 00 00
{265} normal block at 0x0000018AF6FCA060, 16 bytes long.
Data: <°¢üöŠ > B0 A2 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000018AF6FC9E30, 16 bytes long.
Data: < ¢üöŠ > 88 A2 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000018AF6FC5E70, 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 0x0000018AF6FC9D90, 16 bytes long.
Data: <`¢üöŠ > 60 A2 FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000018AF6FCA260, 992 bytes long.
Data: < üöŠ p^üöŠ > 90 9D FC F6 8A 01 00 00 70 5E FC F6 8A 01 00 00
{97} normal block at 0x0000018AF6FC5030, 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 0x0000018AF6FBE5C0, 16 bytes long.
Data: <@züöŠ > 40 7A FC F6 8A 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000018AF6FC7A40, 40 bytes long.
Data: <ÀåûöŠ 0PüöŠ > C0 E5 FB F6 8A 01 00 00 30 50 FC F6 8A 01 00 00
{74} normal block at 0x0000018AF6FBE340, 16 bytes long.
Data: < êéÃ÷ > 80 EA E9 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000018AF6FBE480, 16 bytes long.
Data: <@ééÃ÷ > 40 E9 E9 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000018AF6FBE8E0, 16 bytes long.
Data: <øWæÃ÷ > F8 57 E6 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000018AF6FBEF70, 16 bytes long.
Data: <ØWæÃ÷ > D8 57 E6 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000018AF6FBE520, 16 bytes long.
Data: <P æÃ÷ > 50 04 E6 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000018AF6FBE070, 16 bytes long.
Data: <0 æÃ÷ > 30 04 E6 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018AF6FBE200, 16 bytes long.
Data: <à æÃ÷ > E0 02 E6 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000018AF6FBE6B0, 16 bytes long.
Data: < æÃ÷ > 10 04 E6 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000018AF6FBEF20, 16 bytes long.
Data: <p æÃ÷ > 70 04 E6 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000018AF6FBE7F0, 16 bytes long.
Data: < ÀäÃ÷ > 18 C0 E4 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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