Task 38581503
| Name | HIF2A_A13_A43_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND8810_1 |
| Workunit | 31545877 |
| Created | 12 Dec 2025, 10:50:25 UTC |
| Sent | 12 Dec 2025, 10:54:18 UTC |
| Report deadline | 17 Dec 2025, 10:54:18 UTC |
| Received | 15 Dec 2025, 4:05:28 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 523478 |
| Run time | 1 min 59 sec |
| CPU time | 4 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 8,370.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 83.29 MB |
| Peak swap size | 2.90 GB |
| Peak disk usage | 1.41 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
Operativsystemet kan ikke k�re (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
05:03:45 (14056): wrapper (7.9.26016): starting
05:03:45 (14056): 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
05:03:49 (14056): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:03:49 (14056): 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\0\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\0\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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\0\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\0\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\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'
05:04:14 (14056): C:/Windows/system32/cmd.exe exited; CPU time 4.546875
05:04:14 (14056): app exit status: 0x16
05:04:14 (14056): called boinc_finish(195)
0 bytes in 0 Free Blocks.
626 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: 393587 bytes.
Dumping objects ->
{3835228} normal block at 0x00000203E7478830, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835217} normal block at 0x00000203E7478750, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x00000203E7478050, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835195} normal block at 0x00000203E7478980, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835184} normal block at 0x00000203E7478210, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835153} normal block at 0x00000203E8F6E940, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835142} normal block at 0x00000203E744EAD0, 185 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) : {3835139} normal block at 0x00000203E7449A40, 8 bytes long.
Data: < Ýè > 00 00 DD E8 03 02 00 00
{3834542} normal block at 0x00000203E7453880, 185 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x00000203E74499A0, 8 bytes long.
Data: <àG é > E0 47 01 E9 03 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000203E74539C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000203E7438EB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x00000203E7455450, 16 bytes long.
Data: <¨]Eç > A8 5D 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000203E7455400, 16 bytes long.
Data: < ]Eç > 80 5D 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000203E744FBE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x00000203E7455860, 16 bytes long.
Data: <X]Eç > 58 5D 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000203E7455310, 16 bytes long.
Data: <0]Eç > 30 5D 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000203E74557C0, 16 bytes long.
Data: < ]Eç > 08 5D 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000203E74549B0, 16 bytes long.
Data: <à\Eç > E0 5C 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000203E744DB40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x00000203E74552C0, 16 bytes long.
Data: <hêDç > 68 EA 44 E7 03 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000203E744FA00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x00000203E74551D0, 16 bytes long.
Data: <@êDç > 40 EA 44 E7 03 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000203E7454C30, 16 bytes long.
Data: < êDç > 18 EA 44 E7 03 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000203E74550E0, 16 bytes long.
Data: <ðéDç > F0 E9 44 E7 03 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000203E7454910, 16 bytes long.
Data: <ÈéDç > C8 E9 44 E7 03 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000203E74554A0, 16 bytes long.
Data: < éDç > A0 E9 44 E7 03 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000203E7455270, 16 bytes long.
Data: <xéDç > 78 E9 44 E7 03 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000203E744EDA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x00000203E7454AA0, 16 bytes long.
Data: <PéDç > 50 E9 44 E7 03 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000203E744E950, 320 bytes long.
Data: < JEç  íDç > A0 4A 45 E7 03 02 00 00 A0 ED 44 E7 03 02 00 00
{269} normal block at 0x00000203E7455720, 16 bytes long.
Data: <À\Eç > C0 5C 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000203E7455360, 16 bytes long.
Data: < \Eç > 98 5C 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000203E744F9A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x00000203E7455810, 16 bytes long.
Data: <p\Eç > 70 5C 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000203E744F8E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x00000203E7455130, 16 bytes long.
Data: <¸[Eç > B8 5B 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000203E7454DC0, 16 bytes long.
Data: < [Eç > 90 5B 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000203E7454FF0, 16 bytes long.
Data: <h[Eç > 68 5B 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000203E7454960, 16 bytes long.
Data: <@[Eç > 40 5B 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000203E7455680, 16 bytes long.
Data: < [Eç > 18 5B 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000203E7455540, 16 bytes long.
Data: <ðZEç > F0 5A 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000203E7455770, 16 bytes long.
Data: < ÝDç > 00 DD 44 E7 03 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000203E744DD00, 40 bytes long.
Data: <pWEç @éöè > 70 57 45 E7 03 02 00 00 40 E9 F6 E8 03 02 00 00
{255} normal block at 0x00000203E7454A50, 16 bytes long.
Data: <ÐZEç > D0 5A 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000203E74555E0, 16 bytes long.
Data: <¨ZEç > A8 5A 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000203E744F7C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x00000203E7454BE0, 16 bytes long.
Data: < ZEç > 80 5A 45 E7 03 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000203E7455A80, 992 bytes long.
Data: <àKEç À÷Dç > E0 4B 45 E7 03 02 00 00 C0 F7 44 E7 03 02 00 00
{87} normal block at 0x00000203E744F2E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x00000203E7449900, 16 bytes long.
Data: <àÝDç > E0 DD 44 E7 03 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000203E744DDE0, 40 bytes long.
Data: < Dç àòDç > 00 99 44 E7 03 02 00 00 E0 F2 44 E7 03 02 00 00
{64} normal block at 0x00000203E7449040, 16 bytes long.
Data: < êñ!ö > 80 EA F1 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000203E7449AE0, 16 bytes long.
Data: <@éñ!ö > 40 E9 F1 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000203E7448EB0, 16 bytes long.
Data: <øWî!ö > F8 57 EE 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000203E7448CD0, 16 bytes long.
Data: <ØWî!ö > D8 57 EE 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000203E7448FF0, 16 bytes long.
Data: <P î!ö > 50 04 EE 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000203E7448E10, 16 bytes long.
Data: <0 î!ö > 30 04 EE 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000203E7449770, 16 bytes long.
Data: <à î!ö > E0 02 EE 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000203E74497C0, 16 bytes long.
Data: < î!ö > 10 04 EE 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000203E74491D0, 16 bytes long.
Data: <p î!ö > 70 04 EE 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000203E7449B30, 16 bytes long.
Data: < Àì!ö > 18 C0 EC 21 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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