Task 38581304
| Name | HIF2A_A02_A43_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND7433_0 |
| Workunit | 31545830 |
| Created | 12 Dec 2025, 10:43:58 UTC |
| Sent | 12 Dec 2025, 10:44:03 UTC |
| Report deadline | 17 Dec 2025, 10:44:03 UTC |
| Received | 12 Dec 2025, 10:54:33 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 647718 |
| Run time | 2 min 1 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 15,982.11 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 55.12 MB |
| Peak swap size | 40.39 MB |
| Peak disk usage | 2.63 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run za�.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:51:51 (11424): wrapper (7.9.26016): starting
11:51:51 (11424): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A43_0.xml
QB_A02_A43.inpcrd
QB_A02_A43_input.yaml
QB_A02_A43.prmtop
run.bat
run.sh
11:51:54 (11424): Library/usr/bin/tar.exe exited; CPU time 0.062500
11:51:54 (11424): 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 'E:\ProgramData\BOINC\slots\15\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 'E:\ProgramData\BOINC\slots\15\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 "E:\ProgramData\BOINC\slots\15\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\async_re.py", line 157, in _checkInput
self._exit('JOB_TRANSPORT needs to be specified')
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\async_re.py", line 131, in __getattribute__
return object.__getattribute__(self,name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'openmm_job_RBFE' object has no attribute 'nreplicas'
11:52:11 (11424): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
11:52:11 (11424): app exit status: 0x16
11:52:11 (11424): 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: 352351 bytes.
Dumping objects ->
{3835249} normal block at 0x00000203844E7160, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835238} normal block at 0x00000203844E7080, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835227} normal block at 0x00000203844E7010, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835216} normal block at 0x00000203844E6E50, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835205} normal block at 0x00000203844E6D70, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835174} normal block at 0x000002038607A530, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835160} normal block at 0x00000203844DDB70, 8 bytes long.
Data: < }„ > 00 00 7D 84 03 02 00 00
{3833969} normal block at 0x00000203844DD990, 8 bytes long.
Data: <0ÚL„ > 30 DA 4C 84 03 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000203844D1970, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000203844D1E00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x00000203844E5740, 16 bytes long.
Data: <hjN„ > 68 6A 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000203844E5A60, 16 bytes long.
Data: <@jN„ > 40 6A 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000203844E0580, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x00000203844E5790, 16 bytes long.
Data: < jN„ > 18 6A 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000203844E5560, 16 bytes long.
Data: <ðiN„ > F0 69 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000203844E5C40, 16 bytes long.
Data: <ÈiN„ > C8 69 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000203844E5BA0, 16 bytes long.
Data: < iN„ > A0 69 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000203844E6DE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x00000203844E5D80, 16 bytes long.
Data: <x M„ > 78 0A 4D 84 03 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000203844E0520, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x00000203844E54C0, 16 bytes long.
Data: <P M„ > 50 0A 4D 84 03 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000203844E5D30, 16 bytes long.
Data: <( M„ > 28 0A 4D 84 03 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000203844E5CE0, 16 bytes long.
Data: < M„ > 00 0A 4D 84 03 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000203844E6230, 16 bytes long.
Data: <Ø M„ > D8 09 4D 84 03 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000203844E5470, 16 bytes long.
Data: <° M„ > B0 09 4D 84 03 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000203844E5600, 16 bytes long.
Data: < M„ > 88 09 4D 84 03 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000203844DFF20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x00000203844E5A10, 16 bytes long.
Data: <` M„ > 60 09 4D 84 03 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000203844D0960, 320 bytes long.
Data: < ZN„ ÿM„ > 10 5A 4E 84 03 02 00 00 20 FF 4D 84 03 02 00 00
{280} normal block at 0x00000203844E55B0, 16 bytes long.
Data: < iN„ > 80 69 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000203844E5420, 16 bytes long.
Data: <XiN„ > 58 69 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000203844DF920, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x00000203844E59C0, 16 bytes long.
Data: <0iN„ > 30 69 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000203844DFAA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x00000203844E5920, 16 bytes long.
Data: <xhN„ > 78 68 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000203844E61E0, 16 bytes long.
Data: <PhN„ > 50 68 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000203844E5F60, 16 bytes long.
Data: <(hN„ > 28 68 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000203844E5830, 16 bytes long.
Data: < hN„ > 00 68 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000203844E56A0, 16 bytes long.
Data: <ØgN„ > D8 67 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000203844E5B00, 16 bytes long.
Data: <°gN„ > B0 67 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000203844E6140, 16 bytes long.
Data: < ÕL„ > 90 D5 4C 84 03 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000203844CD590, 40 bytes long.
Data: <@aN„ 0¥ † > 40 61 4E 84 03 02 00 00 30 A5 07 86 03 02 00 00
{266} normal block at 0x00000203844E62D0, 16 bytes long.
Data: < gN„ > 90 67 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000203844E5510, 16 bytes long.
Data: <hgN„ > 68 67 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000203844DFC20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x00000203844E6050, 16 bytes long.
Data: <@gN„ > 40 67 4E 84 03 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000203844E6740, 992 bytes long.
Data: <P`N„ üM„ > 50 60 4E 84 03 02 00 00 20 FC 4D 84 03 02 00 00
{98} normal block at 0x00000203844DFDA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x00000203844DD9E0, 16 bytes long.
Data: <`ßL„ > 60 DF 4C 84 03 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000203844CDF60, 40 bytes long.
Data: <àÙM„  ýM„ > E0 D9 4D 84 03 02 00 00 A0 FD 4D 84 03 02 00 00
{75} normal block at 0x00000203844DD850, 16 bytes long.
Data: < êâ•÷ > 80 EA E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000203844DDE40, 16 bytes long.
Data: <@éâ•÷ > 40 E9 E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000203844DE520, 16 bytes long.
Data: <øWß•÷ > F8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000203844DDC60, 16 bytes long.
Data: <ØWß•÷ > D8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000203844DD710, 16 bytes long.
Data: <P ß•÷ > 50 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000203844DE430, 16 bytes long.
Data: <0 ß•÷ > 30 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000203844DD6C0, 16 bytes long.
Data: <à ß•÷ > E0 02 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000203844DE480, 16 bytes long.
Data: < ß•÷ > 10 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000203844DE070, 16 bytes long.
Data: <p ß•÷ > 70 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000203844DD8F0, 16 bytes long.
Data: < ÀÝ•÷ > 18 C0 DD 95 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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