Task 38598881
| Name | p38_A27_A25_r0_4-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND1436_3 |
| Workunit | 31553377 |
| Created | 8 Apr 2026, 13:04:09 UTC |
| Sent | 8 Apr 2026, 13:04:24 UTC |
| Report deadline | 13 Apr 2026, 13:04:24 UTC |
| Received | 8 Apr 2026, 21:50:45 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 606440 |
| Run time | 3 min 4 sec |
| CPU time | 5 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,468.08 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 54.37 MB |
| Peak swap size | 38.50 MB |
| Peak disk usage | 3.54 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>
14:48:39 (11088): wrapper (7.9.26016): starting
14:48:39 (11088): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_input.yaml
run.bat
run.sh
14:48:40 (11088): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:48:40 (11088): 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 'G:\ProgramData1\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 'G:\ProgramData1\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 "G:\ProgramData1\BOINC\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "G:\ProgramData1\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "G:\ProgramData1\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 "G:\ProgramData1\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "G:\ProgramData1\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "G:\ProgramData1\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "G:\ProgramData1\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "G:\ProgramData1\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "G:\ProgramData1\BOINC\slots\1\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'
14:49:08 (11088): C:/Windows/system32/cmd.exe exited; CPU time 5.015625
14:49:08 (11088): app exit status: 0x16
14:49:08 (11088): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 399215 bytes.
Dumping objects ->
{3835231} normal block at 0x0000019EDC3C6320, 48 bytes long.
Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x0000019EDC3C62B0, 48 bytes long.
Data: <HOME=G:\ProgramD> 48 4F 4D 45 3D 47 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x0000019EDC3C6240, 48 bytes long.
Data: <TMP=G:\ProgramDa> 54 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835198} normal block at 0x0000019EDC3C6160, 48 bytes long.
Data: <TEMP=G:\ProgramD> 54 45 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44
{3835187} normal block at 0x0000019EDC3C5EC0, 48 bytes long.
Data: <TMPDIR=G:\Progra> 54 4D 50 44 49 52 3D 47 3A 5C 50 72 6F 67 72 61
{3835156} normal block at 0x0000019EDDF7B570, 64 bytes long.
Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44
{3835145} normal block at 0x0000019EDC41D610, 140 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) : {3835142} normal block at 0x0000019EDC3BD440, 8 bytes long.
Data: < 9Üž > 00 00 39 DC 9E 01 00 00
{3834538} normal block at 0x0000019EDC41D880, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x0000019EDC3BDC10, 8 bytes long.
Data: < Ö:Üž > 20 D6 3A DC 9E 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000019EDC3B1550, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019EDC3B1A70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
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Data: <x]<Üž > 78 5D 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
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Data: <P]<Üž > 50 5D 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019EDC3C11D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x0000019EDC3C4F00, 16 bytes long.
Data: <(]<Üž > 28 5D 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019EDC3C4DC0, 16 bytes long.
Data: < ]<Üž > 00 5D 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019EDC3C5310, 16 bytes long.
Data: <Ø\<Üž > D8 5C 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019EDC3C4820, 16 bytes long.
Data: <°\<Üž > B0 5C 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019EDC3C61D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x0000019EDC3C5590, 16 bytes long.
Data: <X ;Üž > 58 06 3B DC 9E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019EDC3C0930, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x0000019EDC3C47D0, 16 bytes long.
Data: <0 ;Üž > 30 06 3B DC 9E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019EDC3C4BE0, 16 bytes long.
Data: < ;Üž > 08 06 3B DC 9E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019EDC3C5450, 16 bytes long.
Data: <à ;Üž > E0 05 3B DC 9E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019EDC3C4C80, 16 bytes long.
Data: <¸ ;Üž > B8 05 3B DC 9E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019EDC3C5540, 16 bytes long.
Data: < ;Üž > 90 05 3B DC 9E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019EDC3C4D70, 16 bytes long.
Data: <h ;Üž > 68 05 3B DC 9E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019EDC3C13B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000019EDC3C4AF0, 16 bytes long.
Data: <@ ;Üž > 40 05 3B DC 9E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019EDC3B0540, 320 bytes long.
Data: <ðJ<Üž ° <Üž > F0 4A 3C DC 9E 01 00 00 B0 13 3C DC 9E 01 00 00
{272} normal block at 0x0000019EDC3C4E10, 16 bytes long.
Data: < \<Üž > 90 5C 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019EDC3C52C0, 16 bytes long.
Data: <h\<Üž > 68 5C 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019EDC3C0AB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000019EDC3C4D20, 16 bytes long.
Data: <@\<Üž > 40 5C 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019EDC3C1530, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x0000019EDC3C4C30, 16 bytes long.
Data: < [<Üž > 88 5B 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019EDC3C4FF0, 16 bytes long.
Data: <`[<Üž > 60 5B 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019EDC3C5270, 16 bytes long.
Data: <8[<Üž > 38 5B 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019EDC3C4E60, 16 bytes long.
Data: < [<Üž > 10 5B 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019EDC3C4690, 16 bytes long.
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{262} normal block at 0x0000019EDC3C4A00, 16 bytes long.
Data: <ÀZ<Üž > C0 5A 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019EDC3C51D0, 16 bytes long.
Data: < Ñ:Üž > 80 D1 3A DC 9E 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019EDC3AD180, 40 bytes long.
Data: <ÐQ<Üž pµ÷Ýž > D0 51 3C DC 9E 01 00 00 70 B5 F7 DD 9E 01 00 00
{258} normal block at 0x0000019EDC3C5180, 16 bytes long.
Data: < Z<Üž > A0 5A 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019EDC3C5090, 16 bytes long.
Data: <xZ<Üž > 78 5A 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019EDC3C08D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x0000019EDC3C4EB0, 16 bytes long.
Data: <PZ<Üž > 50 5A 3C DC 9E 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000019EDC3C5A50, 992 bytes long.
Data: <°N<Üž Ð <Üž > B0 4E 3C DC 9E 01 00 00 D0 08 3C DC 9E 01 00 00
{90} normal block at 0x0000019EDC3C1470, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x0000019EDC3BDDF0, 16 bytes long.
Data: <`Û:Üž > 60 DB 3A DC 9E 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000019EDC3ADB60, 40 bytes long.
Data: <ðÝ;Üž p <Üž > F0 DD 3B DC 9E 01 00 00 70 14 3C DC 9E 01 00 00
{67} normal block at 0x0000019EDC3BD3A0, 16 bytes long.
Data: < êBWö > 80 EA 42 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019EDC3BD350, 16 bytes long.
Data: <@éBWö > 40 E9 42 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019EDC3BD300, 16 bytes long.
Data: <øW?Wö > F8 57 3F 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019EDC3BDB70, 16 bytes long.
Data: <ØW?Wö > D8 57 3F 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019EDC3BDDA0, 16 bytes long.
Data: <P ?Wö > 50 04 3F 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019EDC3BD940, 16 bytes long.
Data: <0 ?Wö > 30 04 3F 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019EDC3BD530, 16 bytes long.
Data: <à ?Wö > E0 02 3F 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019EDC3BD760, 16 bytes long.
Data: < ?Wö > 10 04 3F 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019EDC3BD0D0, 16 bytes long.
Data: <p ?Wö > 70 04 3F 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000019EDC3BDD00, 16 bytes long.
Data: < À=Wö > 18 C0 3D 57 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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