Task 38584043
| Name | HIF2A_A13_A43_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND8893_4 |
| Workunit | 31545880 |
| Created | 16 Dec 2025, 5:38:17 UTC |
| Sent | 16 Dec 2025, 5:38:21 UTC |
| Report deadline | 21 Dec 2025, 5:38:21 UTC |
| Received | 16 Dec 2025, 5:45:35 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 610900 |
| Run time | 2 min 48 sec |
| CPU time | 8 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 7,991.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 144.03 MB |
| Peak swap size | 8.98 GB |
| Peak disk usage | 1.43 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<message>
The operating system cannot run %1.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
00:43:00 (36444): wrapper (7.9.26016): starting
00:43:00 (36444): 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
00:43:02 (36444): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:43:02 (36444): 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\1\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\1\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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\1\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\1\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\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'
00:43:42 (36444): C:/Windows/system32/cmd.exe exited; CPU time 8.265625
00:43:42 (36444): app exit status: 0x16
00:43:42 (36444): 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: 888519 bytes.
Dumping objects ->
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{3835489} normal block at 0x0000029290A14EE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835478} normal block at 0x0000029290A148C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835467} normal block at 0x0000029290A14E00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835456} normal block at 0x0000029290A149A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835425} normal block at 0x00000292927E4340, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835412} normal block at 0x0000029290A0D570, 8 bytes long.
Data: < \’’ > 00 00 5C 92 92 02 00 00
{3833959} normal block at 0x0000029290A0D390, 8 bytes long.
Data: <°ßo’’ > B0 DF 6F 92 92 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000029290A00DD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
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Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000029290A15AA0, 16 bytes long.
Data: <Hg¡ ’ > 48 67 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
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Data: < g¡ ’ > 20 67 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029290A11650, 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 0x0000029290A15690, 16 bytes long.
Data: <øf¡ ’ > F8 66 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029290A15F50, 16 bytes long.
Data: <Ðf¡ ’ > D0 66 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
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Data: <¨f¡ ’ > A8 66 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029290A15A00, 16 bytes long.
Data: < f¡ ’ > 80 66 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029290A14BD0, 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 0x0000029290A15DC0, 16 bytes long.
Data: <X   ’ > 58 06 A0 90 92 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029290A114D0, 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 0x0000029290A15B90, 16 bytes long.
Data: <0   ’ > 30 06 A0 90 92 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029290A15A50, 16 bytes long.
Data: <   ’ > 08 06 A0 90 92 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029290A15870, 16 bytes long.
Data: <à   ’ > E0 05 A0 90 92 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029290A161D0, 16 bytes long.
Data: <¸   ’ > B8 05 A0 90 92 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029290A15F00, 16 bytes long.
Data: <   ’ > 90 05 A0 90 92 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029290A15B40, 16 bytes long.
Data: <h   ’ > 68 05 A0 90 92 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029290A10CF0, 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 0x0000029290A16180, 16 bytes long.
Data: <@   ’ > 40 05 A0 90 92 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029290A00540, 320 bytes long.
Data: < a¡ ’ ð ¡ ’ > 80 61 A1 90 92 02 00 00 F0 0C A1 90 92 02 00 00
{275} normal block at 0x0000029290A15730, 16 bytes long.
Data: <`f¡ ’ > 60 66 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029290A15910, 16 bytes long.
Data: <8f¡ ’ > 38 66 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029290A10ED0, 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 0x0000029290A154B0, 16 bytes long.
Data: < f¡ ’ > 10 66 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029290A11050, 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 0x0000029290A15640, 16 bytes long.
Data: <Xe¡ ’ > 58 65 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029290A16270, 16 bytes long.
Data: <0e¡ ’ > 30 65 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029290A159B0, 16 bytes long.
Data: < e¡ ’ > 08 65 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029290A15550, 16 bytes long.
Data: <àd¡ ’ > E0 64 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029290A155F0, 16 bytes long.
Data: <¸d¡ ’ > B8 64 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029290A15AF0, 16 bytes long.
Data: < d¡ ’ > 90 64 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029290A15460, 16 bytes long.
Data: <pN¡ ’ > 70 4E A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029290A14E70, 40 bytes long.
Data: <`T¡ ’ @C~’’ > 60 54 A1 90 92 02 00 00 40 43 7E 92 92 02 00 00
{261} normal block at 0x0000029290A15C30, 16 bytes long.
Data: <pd¡ ’ > 70 64 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000029290A15500, 16 bytes long.
Data: <Hd¡ ’ > 48 64 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000029290A11830, 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 0x0000029290A16360, 16 bytes long.
Data: < d¡ ’ > 20 64 A1 90 92 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000029290A16420, 992 bytes long.
Data: <`c¡ ’ 0 ¡ ’ > 60 63 A1 90 92 02 00 00 30 18 A1 90 92 02 00 00
{93} normal block at 0x0000029290A10AB0, 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 0x0000029290A0D520, 16 bytes long.
Data: < ÞŸ ’ > 10 DE 9F 90 92 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000292909FDE10, 40 bytes long.
Data: < Õ  ’ ° ¡ ’ > 20 D5 A0 90 92 02 00 00 B0 0A A1 90 92 02 00 00
{70} normal block at 0x0000029290A0D2F0, 16 bytes long.
Data: < êÛÊö > 80 EA DB CA F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029290A0D7F0, 16 bytes long.
Data: <@éÛÊö > 40 E9 DB CA F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029290A0D700, 16 bytes long.
Data: <øWØÊö > F8 57 D8 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029290A0D8E0, 16 bytes long.
Data: <ØWØÊö > D8 57 D8 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029290A0D4D0, 16 bytes long.
Data: <P ØÊö > 50 04 D8 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000029290A0D750, 16 bytes long.
Data: <0 ØÊö > 30 04 D8 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000029290A0D340, 16 bytes long.
Data: <à ØÊö > E0 02 D8 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029290A0D2A0, 16 bytes long.
Data: < ØÊö > 10 04 D8 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000029290A0DA70, 16 bytes long.
Data: <p ØÊö > 70 04 D8 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000029290A0D7A0, 16 bytes long.
Data: < ÀÖÊö > 18 C0 D6 CA F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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