Task 38581613
| Name | HIF2A_A24_A43_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND6241_1 |
| Workunit | 31545964 |
| Created | 12 Dec 2025, 11:19:10 UTC |
| Sent | 12 Dec 2025, 11:19:14 UTC |
| Report deadline | 17 Dec 2025, 11:19:14 UTC |
| Received | 12 Dec 2025, 11:27:57 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 618086 |
| Run time | 7 min 6 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 11,340.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 89.11 MB |
| Peak swap size | 7.42 GB |
| Peak disk usage | 4.14 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>
03:23:16 (26320): wrapper (7.9.26016): starting
03:23:16 (26320): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A43_0.xml
QB_A24_A43.inpcrd
QB_A24_A43_input.yaml
QB_A24_A43.prmtop
run.bat
run.sh
03:23:53 (26320): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:24:01 (26320): 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\18\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\18\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\18\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\18\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\18\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\18\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'
03:24:44 (26320): C:/Windows/system32/cmd.exe exited; CPU time 0.984375
03:24:44 (26320): app exit status: 0x16
03:24:44 (26320): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 433205 bytes.
Dumping objects ->
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{3835450} normal block at 0x0000020DCE86E100, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835439} normal block at 0x0000020DCE86DE60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835428} normal block at 0x0000020DCCB45430, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835417} normal block at 0x0000020DCCB453C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835386} normal block at 0x0000020DCE8B4AB0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835375} normal block at 0x0000020DCE8CF190, 102 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) : {3835371} normal block at 0x0000020DCCB3D8B0, 8 bytes long.
Data: < ýÌ > 00 00 FD CC 0D 02 00 00
{3834656} normal block at 0x0000020DCE8CF7C0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x0000020DCCB3DDB0, 8 bytes long.
Data: < G‘Î > 90 47 91 CE 0D 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000020DCCB318B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000020DCCB32A70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000020DCCB46020, 16 bytes long.
Data: <Xn´Ì > 58 6E B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000020DCCB45D50, 16 bytes long.
Data: <0n´Ì > 30 6E B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020DCCB40230, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000020DCCB464D0, 16 bytes long.
Data: < n´Ì > 08 6E B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020DCCB45FD0, 16 bytes long.
Data: <àm´Ì > E0 6D B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020DCCB46A20, 16 bytes long.
Data: <¸m´Ì > B8 6D B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020DCCB466B0, 16 bytes long.
Data: < m´Ì > 90 6D B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020DCCB45200, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000020DCCB46660, 16 bytes long.
Data: <X.³Ì > 58 2E B3 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020DCCB40890, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000020DCCB46430, 16 bytes long.
Data: <0.³Ì > 30 2E B3 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020DCCB463E0, 16 bytes long.
Data: < .³Ì > 08 2E B3 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020DCCB46A70, 16 bytes long.
Data: <à-³Ì > E0 2D B3 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020DCCB45EE0, 16 bytes long.
Data: <¸-³Ì > B8 2D B3 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020DCCB45F30, 16 bytes long.
Data: < -³Ì > 90 2D B3 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020DCCB46390, 16 bytes long.
Data: <h-³Ì > 68 2D B3 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020DCCB401D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000020DCCB46700, 16 bytes long.
Data: <@-³Ì > 40 2D B3 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020DCCB32D40, 320 bytes long.
Data: < g´Ì Ð ´Ì > 00 67 B4 CC 0D 02 00 00 D0 01 B4 CC 0D 02 00 00
{279} normal block at 0x0000020DCCB469D0, 16 bytes long.
Data: <pm´Ì > 70 6D B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020DCCB45E40, 16 bytes long.
Data: <Hm´Ì > 48 6D B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020DCCB3FCF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000020DCCB45D00, 16 bytes long.
Data: < m´Ì > 20 6D B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020DCCB40650, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000020DCCB45DF0, 16 bytes long.
Data: <hl´Ì > 68 6C B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020DCCB46840, 16 bytes long.
Data: <@l´Ì > 40 6C B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020DCCB45B70, 16 bytes long.
Data: < l´Ì > 18 6C B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020DCCB45C60, 16 bytes long.
Data: <ðk´Ì > F0 6B B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020DCCB45DA0, 16 bytes long.
Data: <Èk´Ì > C8 6B B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020DCCB46980, 16 bytes long.
Data: < k´Ì > A0 6B B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020DCCB462F0, 16 bytes long.
Data: <àR´Ì > E0 52 B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020DCCB452E0, 40 bytes long.
Data: <ðb´Ì °J‹Î > F0 62 B4 CC 0D 02 00 00 B0 4A 8B CE 0D 02 00 00
{265} normal block at 0x0000020DCCB45F80, 16 bytes long.
Data: < k´Ì > 80 6B B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020DCCB46340, 16 bytes long.
Data: <Xk´Ì > 58 6B B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020DCCB40770, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000020DCCB467F0, 16 bytes long.
Data: <0k´Ì > 30 6B B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020DCCB46B30, 992 bytes long.
Data: <ðg´Ì p ´Ì > F0 67 B4 CC 0D 02 00 00 70 07 B4 CC 0D 02 00 00
{97} normal block at 0x0000020DCCB3FF90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000020DCCB3DBD0, 16 bytes long.
Data: <@P´Ì > 40 50 B4 CC 0D 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000020DCCB45040, 40 bytes long.
Data: <ÐÛ³Ì ÿ³Ì > D0 DB B3 CC 0D 02 00 00 90 FF B3 CC 0D 02 00 00
{74} normal block at 0x0000020DCCB3E300, 16 bytes long.
Data: < êµ2ö > 80 EA B5 32 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000020DCCB3DAE0, 16 bytes long.
Data: <@éµ2ö > 40 E9 B5 32 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000020DCCB3E4E0, 16 bytes long.
Data: <øW²2ö > F8 57 B2 32 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000020DCCB3D860, 16 bytes long.
Data: <ØW²2ö > D8 57 B2 32 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020DCCB3D950, 16 bytes long.
Data: <P ²2ö > 50 04 B2 32 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020DCCB3DA90, 16 bytes long.
Data: <0 ²2ö > 30 04 B2 32 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020DCCB3D810, 16 bytes long.
Data: <à ²2ö > E0 02 B2 32 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020DCCB3E710, 16 bytes long.
Data: < ²2ö > 10 04 B2 32 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020DCCB3DF40, 16 bytes long.
Data: <p ²2ö > 70 04 B2 32 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020DCCB3E080, 16 bytes long.
Data: < À°2ö > 18 C0 B0 32 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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