Task 38584045
| Name | HIF2A_A13_A43_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND8810_5 |
| Workunit | 31545877 |
| Created | 16 Dec 2025, 9:02:58 UTC |
| Sent | 16 Dec 2025, 9:03:05 UTC |
| Report deadline | 21 Dec 2025, 9:03:05 UTC |
| Received | 16 Dec 2025, 9:06:20 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 633425 |
| Run time | 1 min 21 sec |
| CPU time | 5 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 41,292.04 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 58.73 MB |
| Peak swap size | 41.87 MB |
| Peak disk usage | 1.41 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>
10:05:12 (23540): wrapper (7.9.26016): starting
10:05:12 (23540): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A43_0.xml
QB_A13_A43.inpcrd
QB_A13_A43_input.yaml
QB_A13_A43.prmtop
run.bat
run.sh
10:05:16 (23540): Library/usr/bin/tar.exe exited; CPU time 0.031250
10:05:16 (23540): 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\2\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\2\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\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 157, in _checkInput
self._exit('JOB_TRANSPORT needs to be specified')
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\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'
10:05:53 (23540): C:/Windows/system32/cmd.exe exited; CPU time 4.968750
10:05:53 (23540): app exit status: 0x16
10:05:53 (23540): 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: 801565 bytes.
Dumping objects ->
{3835480} normal block at 0x0000029F2FEA51B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835469} normal block at 0x0000029F2FEA5140, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835458} normal block at 0x0000029F2FEA5060, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835447} normal block at 0x0000029F2FEA4FF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835436} normal block at 0x0000029F2FEA4D50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835405} normal block at 0x0000029F319E6F30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835394} normal block at 0x0000029F2FEFCDC0, 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) : {3835391} normal block at 0x0000029F2FE9D700, 8 bytes long.
Data: < r1Ÿ > 00 00 72 31 9F 02 00 00
{3834682} normal block at 0x0000029F2FEFC8E0, 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 0x0000029F2FE9D7F0, 8 bytes long.
Data: < k§1Ÿ > 80 6B A7 31 9F 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000029F2FE914B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029F2FE92630, 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: <Xkê/Ÿ > 58 6B EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
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{290} normal block at 0x0000029F2FE9FB50, 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 0x0000029F2FEA6340, 16 bytes long.
Data: < kê/Ÿ > 08 6B EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029F2FEA6200, 16 bytes long.
Data: <àjê/Ÿ > E0 6A EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029F2FEA6250, 16 bytes long.
Data: <¸jê/Ÿ > B8 6A EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029F2FEA6570, 16 bytes long.
Data: < jê/Ÿ > 90 6A EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029F2FEA4C00, 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 0x0000029F2FEA5A30, 16 bytes long.
Data: <¸ é/Ÿ > B8 19 E9 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029F2FEA02D0, 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 0x0000029F2FEA6520, 16 bytes long.
Data: < é/Ÿ > 90 19 E9 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029F2FEA61B0, 16 bytes long.
Data: <h é/Ÿ > 68 19 E9 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029F2FEA6160, 16 bytes long.
Data: <@ é/Ÿ > 40 19 E9 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029F2FEA6070, 16 bytes long.
Data: < é/Ÿ > 18 19 E9 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029F2FEA6480, 16 bytes long.
Data: <ð é/Ÿ > F0 18 E9 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029F2FEA6610, 16 bytes long.
Data: <È é/Ÿ > C8 18 E9 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029F2FE9F7F0, 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 0x0000029F2FEA62F0, 16 bytes long.
Data: <  é/Ÿ > A0 18 E9 2F 9F 02 00 00 00 00 00 00 00 00 00 00
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{272} normal block at 0x0000029F2FEA5C10, 16 bytes long.
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{271} normal block at 0x0000029F2FEA5E90, 16 bytes long.
Data: <Hjê/Ÿ > 48 6A EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029F2FE9FE50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
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{268} normal block at 0x0000029F2FE9FD90, 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 0x0000029F2FEA6110, 16 bytes long.
Data: <hiê/Ÿ > 68 69 EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029F2FEA60C0, 16 bytes long.
Data: <@iê/Ÿ > 40 69 EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029F2FEA5A80, 16 bytes long.
Data: < iê/Ÿ > 18 69 EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029F2FEA5E40, 16 bytes long.
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{263} normal block at 0x0000029F2FEA5940, 16 bytes long.
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{262} normal block at 0x0000029F2FEA6020, 16 bytes long.
Data: < hê/Ÿ > A0 68 EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000029F2FEA59E0, 16 bytes long.
Data: <àLê/Ÿ > E0 4C EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000029F2FEA4CE0, 40 bytes long.
Data: <àYê/Ÿ 0ož1Ÿ > E0 59 EA 2F 9F 02 00 00 30 6F 9E 31 9F 02 00 00
{258} normal block at 0x0000029F2FEA5F80, 16 bytes long.
Data: < hê/Ÿ > 80 68 EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000029F2FEA5710, 16 bytes long.
Data: <Xhê/Ÿ > 58 68 EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000029F2FE9FA30, 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 0x0000029F2FEA5AD0, 16 bytes long.
Data: <0hê/Ÿ > 30 68 EA 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000029F2FEA6830, 992 bytes long.
Data: <ÐZê/Ÿ 0úé/Ÿ > D0 5A EA 2F 9F 02 00 00 30 FA E9 2F 9F 02 00 00
{90} normal block at 0x0000029F2FE9F9D0, 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 0x0000029F2FE9DE80, 16 bytes long.
Data: <@èè/Ÿ > 40 E8 E8 2F 9F 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000029F2FE8E840, 40 bytes long.
Data: < Þé/Ÿ Ðùé/Ÿ > 80 DE E9 2F 9F 02 00 00 D0 F9 E9 2F 9F 02 00 00
{67} normal block at 0x0000029F2FE9DAC0, 16 bytes long.
Data: < êɼö > 80 EA C9 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029F2FE9D570, 16 bytes long.
Data: <@éɼö > 40 E9 C9 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000029F2FE9DCA0, 16 bytes long.
Data: <øWƼö > F8 57 C6 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000029F2FE9D7A0, 16 bytes long.
Data: <ØWƼö > D8 57 C6 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029F2FE9E1A0, 16 bytes long.
Data: <P Ƽö > 50 04 C6 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000029F2FE9DA20, 16 bytes long.
Data: <0 Ƽö > 30 04 C6 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000029F2FE9D8E0, 16 bytes long.
Data: <à Ƽö > E0 02 C6 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000029F2FE9DF70, 16 bytes long.
Data: < Ƽö > 10 04 C6 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000029F2FE9E150, 16 bytes long.
Data: <p Ƽö > 70 04 C6 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000029F2FE9E1F0, 16 bytes long.
Data: < Àļö > 18 C0 C4 BC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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