Task 38583232
| Name | HIF2A_A02_A43_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND9209_6 |
| Workunit | 31545829 |
| Created | 13 Dec 2025, 23:04:50 UTC |
| Sent | 13 Dec 2025, 23:04:52 UTC |
| Report deadline | 18 Dec 2025, 23:04:52 UTC |
| Received | 14 Dec 2025, 0:05:16 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 638061 |
| Run time | 1 min 28 sec |
| CPU time | 2 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 15,399.00 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 62.36 MB |
| Peak swap size | 11.70 GB |
| Peak disk usage | 2.63 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>
18:02:52 (17944): wrapper (7.9.26016): starting
18:02:52 (17944): 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
18:02:53 (17944): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:02:53 (17944): 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\30\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\30\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\30\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\30\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\30\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\30\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\30\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\30\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\30\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\30\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\30\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\30\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'
18:03:10 (17944): C:/Windows/system32/cmd.exe exited; CPU time 2.265625
18:03:10 (17944): app exit status: 0x16
18:03:10 (17944): 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: 396509 bytes.
Dumping objects ->
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Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x0000024ABDD04A80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x0000024ABDD049A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835198} normal block at 0x0000024ABDD04770, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835187} normal block at 0x0000024ABDD04700, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835156} normal block at 0x0000024ABFAFBB80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835145} normal block at 0x0000024ABFB0E3C0, 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) : {3835142} normal block at 0x0000024ABDCFD5D0, 8 bytes long.
Data: < 3¾J > 00 00 33 BE 4A 02 00 00
{3834540} normal block at 0x0000024ABFB0F180, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x0000024ABDCFD580, 8 bytes long.
Data: <pÕνJ > 70 D5 CE BD 4A 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024ABDCF0E60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024ABDCF22C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000024ABDD05EA0, 16 bytes long.
Data: <øeнJ > F8 65 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024ABDD055E0, 16 bytes long.
Data: <ÐeнJ > D0 65 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024ABDD00DE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000024ABDD06080, 16 bytes long.
Data: <¨eнJ > A8 65 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024ABDD058B0, 16 bytes long.
Data: < eнJ > 80 65 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024ABDD05770, 16 bytes long.
Data: <XeнJ > 58 65 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024ABDD059F0, 16 bytes long.
Data: <0eнJ > 30 65 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024ABDD04930, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000024ABDD05590, 16 bytes long.
Data: <(³Î½J > 28 B3 CE BD 4A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024ABDD01560, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000024ABDD06120, 16 bytes long.
Data: < ³Î½J > 00 B3 CE BD 4A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024ABDD053B0, 16 bytes long.
Data: <زνJ > D8 B2 CE BD 4A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024ABDD05950, 16 bytes long.
Data: <°²Î½J > B0 B2 CE BD 4A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024ABDD05310, 16 bytes long.
Data: < ²Î½J > 88 B2 CE BD 4A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024ABDD05CC0, 16 bytes long.
Data: <`²Î½J > 60 B2 CE BD 4A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024ABDD054A0, 16 bytes long.
Data: <8²Î½J > 38 B2 CE BD 4A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024ABDD007E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000024ABDD060D0, 16 bytes long.
Data: < ²Î½J > 10 B2 CE BD 4A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024ABDCEB210, 320 bytes long.
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{275} normal block at 0x0000024ABDD05F40, 16 bytes long.
Data: < eнJ > 10 65 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024ABDD06030, 16 bytes long.
Data: <èdнJ > E8 64 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024ABDD01380, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000024ABDD05E00, 16 bytes long.
Data: <ÀdнJ > C0 64 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024ABDD01020, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000024ABDD05360, 16 bytes long.
Data: < dнJ > 08 64 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024ABDD059A0, 16 bytes long.
Data: <àcнJ > E0 63 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024ABDD05680, 16 bytes long.
Data: <¸cнJ > B8 63 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024ABDD054F0, 16 bytes long.
Data: < cнJ > 90 63 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024ABDD05540, 16 bytes long.
Data: <hcнJ > 68 63 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024ABDD05FE0, 16 bytes long.
Data: <@cнJ > 40 63 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024ABDD061C0, 16 bytes long.
Data: <`KнJ > 60 4B D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024ABDD04B60, 40 bytes long.
Data: <ÀaнJ »¯¿J > C0 61 D0 BD 4A 02 00 00 80 BB AF BF 4A 02 00 00
{261} normal block at 0x0000024ABDD05F90, 16 bytes long.
Data: < cнJ > 20 63 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024ABDD05C70, 16 bytes long.
Data: <øbнJ > F8 62 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024ABDD01140, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000024ABDD05EF0, 16 bytes long.
Data: <ÐbнJ > D0 62 D0 BD 4A 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024ABDD062D0, 992 bytes long.
Data: <ð^нJ @ нJ > F0 5E D0 BD 4A 02 00 00 40 11 D0 BD 4A 02 00 00
{93} normal block at 0x0000024ABDD009C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000024ABDCFDDF0, 16 bytes long.
Data: <pÄνJ > 70 C4 CE BD 4A 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000024ABDCEC470, 40 bytes long.
Data: <ðÝϽJ À нJ > F0 DD CF BD 4A 02 00 00 C0 09 D0 BD 4A 02 00 00
{70} normal block at 0x0000024ABDCFD7B0, 16 bytes long.
Data: < ê³rö > 80 EA B3 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024ABDCFCF90, 16 bytes long.
Data: <@é³rö > 40 E9 B3 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024ABDCFD760, 16 bytes long.
Data: <øW°rö > F8 57 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024ABDCFDCB0, 16 bytes long.
Data: <ØW°rö > D8 57 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024ABDCFD2B0, 16 bytes long.
Data: <P °rö > 50 04 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024ABDCFCF40, 16 bytes long.
Data: <0 °rö > 30 04 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024ABDCFD710, 16 bytes long.
Data: <à °rö > E0 02 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024ABDCFD940, 16 bytes long.
Data: < °rö > 10 04 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024ABDCFD4E0, 16 bytes long.
Data: <p °rö > 70 04 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024ABDCFD9E0, 16 bytes long.
Data: < À®rö > 18 C0 AE 72 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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