Task 38600259
| Name | p38_A27_A25_r0_3-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND0101_2 |
| Workunit | 31553376 |
| Created | 9 Apr 2026, 1:46:32 UTC |
| Sent | 9 Apr 2026, 1:46:44 UTC |
| Report deadline | 14 Apr 2026, 1:46:44 UTC |
| Received | 10 Apr 2026, 20:26:12 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 619480 |
| Run time | 1 min 47 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 13,497.36 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 87.45 MB |
| Peak swap size | 4.41 GB |
| Peak disk usage | 2.74 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>
14:24:17 (75464): wrapper (7.9.26016): starting
14:24:17 (75464): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_input.yaml
run.bat
run.sh
14:24:18 (75464): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:24:18 (75464): 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\4\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\4\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\4\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\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\4\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\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'
14:24:38 (75464): C:/Windows/system32/cmd.exe exited; CPU time 0.437500
14:24:38 (75464): app exit status: 0x16
14:24:38 (75464): 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: 766591 bytes.
Dumping objects ->
{3835262} normal block at 0x00000131A90026A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835251} normal block at 0x00000131A90024E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x00000131A90029B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835229} normal block at 0x00000131A90028D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x00000131A9002400, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835187} normal block at 0x00000131AAB1C280, 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) : {3835173} normal block at 0x00000131A8FFB6F0, 8 bytes long.
Data: < һ1 > 00 00 93 AA 31 01 00 00
{3833957} normal block at 0x00000131A8FFB6A0, 8 bytes long.
Data: < Åþ¨1 > 10 C5 FE A8 31 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000131A8FEF1A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000131A8FF0460, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000131A9003500, 16 bytes long.
Data: <¸D ©1 > B8 44 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000131A9002E70, 16 bytes long.
Data: < D ©1 > 90 44 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000131A8FFD8F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000131A90033C0, 16 bytes long.
Data: <hD ©1 > 68 44 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000131A90034B0, 16 bytes long.
Data: <@D ©1 > 40 44 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000131A9002DD0, 16 bytes long.
Data: < D ©1 > 18 44 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000131A9003460, 16 bytes long.
Data: <ðC ©1 > F0 43 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000131A90027F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000131A9003D20, 16 bytes long.
Data: <Èàþ¨1 > C8 E0 FE A8 31 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000131A8FFDAD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000131A9003370, 16 bytes long.
Data: < àþ¨1 > A0 E0 FE A8 31 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000131A9003320, 16 bytes long.
Data: <xàþ¨1 > 78 E0 FE A8 31 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000131A90037D0, 16 bytes long.
Data: <Pàþ¨1 > 50 E0 FE A8 31 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000131A90032D0, 16 bytes long.
Data: <(àþ¨1 > 28 E0 FE A8 31 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000131A9003CD0, 16 bytes long.
Data: < àþ¨1 > 00 E0 FE A8 31 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000131A9003050, 16 bytes long.
Data: <Øßþ¨1 > D8 DF FE A8 31 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000131A8FFDA10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000131A90035F0, 16 bytes long.
Data: <°ßþ¨1 > B0 DF FE A8 31 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000131A8FEDFB0, 320 bytes long.
Data: <ð5 ©1 Úÿ¨1 > F0 35 00 A9 31 01 00 00 10 DA FF A8 31 01 00 00
{274} normal block at 0x00000131A9003A00, 16 bytes long.
Data: <ÐC ©1 > D0 43 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000131A9003280, 16 bytes long.
Data: <¨C ©1 > A8 43 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000131A8FFD5F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000131A9002F60, 16 bytes long.
Data: < C ©1 > 80 43 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000131A8FFD710, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000131A9002E20, 16 bytes long.
Data: <ÈB ©1 > C8 42 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000131A90038C0, 16 bytes long.
Data: < B ©1 > A0 42 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000131A9003140, 16 bytes long.
Data: <xB ©1 > 78 42 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000131A9003000, 16 bytes long.
Data: <PB ©1 > 50 42 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000131A90035A0, 16 bytes long.
Data: <(B ©1 > 28 42 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000131A9003C80, 16 bytes long.
Data: < B ©1 > 00 42 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000131A9003190, 16 bytes long.
Data: < * ©1 > 20 2A 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000131A9002A20, 40 bytes long.
Data: < 1 ©1 ±ª1 > 90 31 00 A9 31 01 00 00 80 C2 B1 AA 31 01 00 00
{260} normal block at 0x00000131A9002F10, 16 bytes long.
Data: <àA ©1 > E0 41 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000131A90031E0, 16 bytes long.
Data: <¸A ©1 > B8 41 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000131A8FFD830, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000131A9003410, 16 bytes long.
Data: < A ©1 > 90 41 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000131A9004190, 992 bytes long.
Data: < 4 ©1 0Øÿ¨1 > 10 34 00 A9 31 01 00 00 30 D8 FF A8 31 01 00 00
{92} normal block at 0x00000131A8FFE190, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000131A8FFAFC0, 16 bytes long.
Data: <À% ©1 > C0 25 00 A9 31 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000131A90025C0, 40 bytes long.
Data: <À¯ÿ¨1 áÿ¨1 > C0 AF FF A8 31 01 00 00 90 E1 FF A8 31 01 00 00
{69} normal block at 0x00000131A8FFAF70, 16 bytes long.
Data: < ê ÷ > 80 EA 90 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000131A8FFB100, 16 bytes long.
Data: <@é ÷ > 40 E9 90 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000131A8FFB9C0, 16 bytes long.
Data: <øW ÷ > F8 57 8D 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000131A8FFB1F0, 16 bytes long.
Data: <ØW ÷ > D8 57 8D 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000131A8FFB290, 16 bytes long.
Data: <P ÷ > 50 04 8D 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000131A8FFB1A0, 16 bytes long.
Data: <0 ÷ > 30 04 8D 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000131A8FFB970, 16 bytes long.
Data: <à ÷ > E0 02 8D 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000131A8FFB7E0, 16 bytes long.
Data: < ÷ > 10 04 8D 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000131A8FFB240, 16 bytes long.
Data: <p ÷ > 70 04 8D 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000131A8FFB830, 16 bytes long.
Data: < À‹ ÷ > 18 C0 8B 11 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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