Task 38599848
| Name | p38_A27_A25_r0_4-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND1436_4 |
| Workunit | 31553377 |
| Created | 8 Apr 2026, 21:50:50 UTC |
| Sent | 8 Apr 2026, 21:51:00 UTC |
| Report deadline | 13 Apr 2026, 21:51:00 UTC |
| Received | 8 Apr 2026, 21:59:12 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 639838 |
| Run time | 2 min 7 sec |
| CPU time | 4 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 29,506.28 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 42.60 MB |
| Peak swap size | 30.74 MB |
| Peak disk usage | 3.72 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:56:48 (7932): wrapper (7.9.26016): starting
17:56:48 (7932): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_input.yaml
run.bat
run.sh
17:56:49 (7932): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:56:49 (7932): 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_A25.pdb'
17:57:13 (7932): C:/Windows/system32/cmd.exe exited; CPU time 4.000000
17:57:13 (7932): app exit status: 0x16
17:57:13 (7932): 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: 842109 bytes.
Dumping objects ->
{3835447} normal block at 0x000002422E908000, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835436} normal block at 0x000002422CAE4C90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835425} normal block at 0x000002422CAE4C20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835414} normal block at 0x000002422CAE4BB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835403} normal block at 0x000002422CAE4B40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835372} normal block at 0x000002422E91AF50, 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) : {3835359} normal block at 0x000002422CADDCD0, 8 bytes long.
Data: < -B > 00 00 17 2D 42 02 00 00
{3833945} normal block at 0x000002422CADDAA0, 8 bytes long.
Data: <ÐÔ¬,B > D0 D4 AC 2C 42 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002422CAD1180, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002422CAD1650, 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 0x000002422CAE5A00, 16 bytes long.
Data: <he®,B > 68 65 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002422CAE5F50, 16 bytes long.
Data: <@e®,B > 40 65 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002422CAE1510, 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 0x000002422CAE5AF0, 16 bytes long.
Data: < e®,B > 18 65 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002422CAE5D20, 16 bytes long.
Data: <ðd®,B > F0 64 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002422CAE54B0, 16 bytes long.
Data: <Èd®,B > C8 64 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002422CAE59B0, 16 bytes long.
Data: < d®,B > A0 64 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002422CAE4D00, 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 0x000002422CAE5910, 16 bytes long.
Data: < ²¬,B > 88 B2 AC 2C 42 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002422CAE0910, 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 0x000002422CAE5410, 16 bytes long.
Data: <`²¬,B > 60 B2 AC 2C 42 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002422CAE61D0, 16 bytes long.
Data: <8²¬,B > 38 B2 AC 2C 42 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002422CAE52D0, 16 bytes long.
Data: < ²¬,B > 10 B2 AC 2C 42 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002422CAE53C0, 16 bytes long.
Data: <豬,B > E8 B1 AC 2C 42 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002422CAE5370, 16 bytes long.
Data: <À±¬,B > C0 B1 AC 2C 42 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002422CAE57D0, 16 bytes long.
Data: < ±¬,B > 98 B1 AC 2C 42 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002422CAE13F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000002422CAE58C0, 16 bytes long.
Data: <p±¬,B > 70 B1 AC 2C 42 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002422CACB170, 320 bytes long.
Data: <ÀX®,B ð ®,B > C0 58 AE 2C 42 02 00 00 F0 13 AE 2C 42 02 00 00
{268} normal block at 0x000002422CAE56E0, 16 bytes long.
Data: < d®,B > 80 64 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002422CAE5320, 16 bytes long.
Data: <Xd®,B > 58 64 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002422CAE1390, 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 0x000002422CAE5280, 16 bytes long.
Data: <0d®,B > 30 64 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002422CAE10F0, 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 0x000002422CAE5690, 16 bytes long.
Data: <xc®,B > 78 63 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002422CAE6130, 16 bytes long.
Data: <Pc®,B > 50 63 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002422CAE5FA0, 16 bytes long.
Data: <(c®,B > 28 63 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002422CAE5E60, 16 bytes long.
Data: < c®,B > 00 63 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002422CAE5780, 16 bytes long.
Data: <Øb®,B > D8 62 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002422CAE5870, 16 bytes long.
Data: <°b®,B > B0 62 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002422CAE5460, 16 bytes long.
Data: < H®,B > A0 48 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002422CAE48A0, 40 bytes long.
Data: <`T®,B P¯‘.B > 60 54 AE 2C 42 02 00 00 50 AF 91 2E 42 02 00 00
{254} normal block at 0x000002422CAE55F0, 16 bytes long.
Data: < b®,B > 90 62 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002422CAE5C80, 16 bytes long.
Data: <hb®,B > 68 62 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002422CAE09D0, 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 0x000002422CAE5AA0, 16 bytes long.
Data: <@b®,B > 40 62 AE 2C 42 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002422CAE6240, 992 bytes long.
Data: < Z®,B Ð ®,B > A0 5A AE 2C 42 02 00 00 D0 09 AE 2C 42 02 00 00
{86} normal block at 0x000002422CAE0FD0, 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 0x000002422CADDA50, 16 bytes long.
Data: <PĬ,B > 50 C4 AC 2C 42 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002422CACC450, 40 bytes long.
Data: <PÚ­,B Ð ®,B > 50 DA AD 2C 42 02 00 00 D0 0F AE 2C 42 02 00 00
{63} normal block at 0x000002422CADCF60, 16 bytes long.
Data: < ê@J÷ > 80 EA 40 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002422CADDE10, 16 bytes long.
Data: <@é@J÷ > 40 E9 40 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002422CADD690, 16 bytes long.
Data: <øW=J÷ > F8 57 3D 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002422CADD640, 16 bytes long.
Data: <ØW=J÷ > D8 57 3D 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002422CADCFB0, 16 bytes long.
Data: <P =J÷ > 50 04 3D 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002422CADDC80, 16 bytes long.
Data: <0 =J÷ > 30 04 3D 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002422CADD0A0, 16 bytes long.
Data: <à =J÷ > E0 02 3D 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002422CADD050, 16 bytes long.
Data: < =J÷ > 10 04 3D 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002422CADD410, 16 bytes long.
Data: <p =J÷ > 70 04 3D 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002422CADD6E0, 16 bytes long.
Data: < À;J÷ > 18 C0 3B 4A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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