Task 38584360
| Name | HIF2A_A02_A43_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND7433_3 |
| Workunit | 31545830 |
| Created | 17 Dec 2025, 10:58:00 UTC |
| Sent | 17 Dec 2025, 10:58:08 UTC |
| Report deadline | 22 Dec 2025, 10:58:08 UTC |
| Received | 17 Dec 2025, 11:03:04 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 550227 |
| Run time | 2 min 20 sec |
| CPU time | 2 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,809.25 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 53.48 MB |
| Peak swap size | 41.30 MB |
| Peak disk usage | 1.52 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>
03:00:47 (8700): wrapper (7.9.26016): starting
03:00:47 (8700): 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
03:00:48 (8700): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:00:48 (8700): 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\7\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\7\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\7\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\7\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\7\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\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'
03:01:04 (8700): C:/Windows/system32/cmd.exe exited; CPU time 2.671875
03:01:04 (8700): app exit status: 0x16
03:01:04 (8700): 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: 370917 bytes.
Dumping objects ->
{3835215} normal block at 0x0000023CBD517690, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x0000023CBD517FC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835193} normal block at 0x0000023CBD5172A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835182} normal block at 0x0000023CBD517850, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835171} normal block at 0x0000023CBD517A80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835140} normal block at 0x0000023CBF00B940, 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) : {3835127} normal block at 0x0000023CBD4EF7B0, 8 bytes long.
Data: < Þ¾< > 00 00 DE BE 3C 02 00 00
{3833943} normal block at 0x0000023CBD4EF760, 8 bytes long.
Data: < þ ¿< > 10 FE 0A BF 3C 02 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000023CBD4F12F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023CBD4DB680, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x0000023CBD4E6D40, 16 bytes long.
Data: <è7O½< > E8 37 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023CBD4E6CF0, 16 bytes long.
Data: <À7O½< > C0 37 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023CBD4EBFD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x0000023CBD4E76F0, 16 bytes long.
Data: < 7O½< > 98 37 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023CBD4E72E0, 16 bytes long.
Data: <p7O½< > 70 37 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023CBD4E6D90, 16 bytes long.
Data: <H7O½< > 48 37 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023CBD4E6B60, 16 bytes long.
Data: < 7O½< > 20 37 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023CBD4ED7D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x0000023CBD4E7240, 16 bytes long.
Data: < _M½< > 98 5F 4D BD 3C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023CBD4EBF70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x0000023CBD4E7060, 16 bytes long.
Data: <p_M½< > 70 5F 4D BD 3C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023CBD4E7600, 16 bytes long.
Data: <H_M½< > 48 5F 4D BD 3C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023CBD4E7650, 16 bytes long.
Data: < _M½< > 20 5F 4D BD 3C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023CBD4E6E30, 16 bytes long.
Data: <ø^M½< > F8 5E 4D BD 3C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023CBD4EF710, 16 bytes long.
Data: <Ð^M½< > D0 5E 4D BD 3C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023CBD4EF6C0, 16 bytes long.
Data: <¨^M½< > A8 5E 4D BD 3C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023CBD4EC1B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{269} normal block at 0x0000023CBD4EF580, 16 bytes long.
Data: < ^M½< > 80 5E 4D BD 3C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023CBD4D5E80, 320 bytes long.
Data: < õN½< °ÁN½< > 80 F5 4E BD 3C 02 00 00 B0 C1 4E BD 3C 02 00 00
{267} normal block at 0x0000023CBD4EF530, 16 bytes long.
Data: < 7O½< > 00 37 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023CBD4EF3F0, 16 bytes long.
Data: <Ø6O½< > D8 36 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023CBD4EC570, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x0000023CBD4EF3A0, 16 bytes long.
Data: <°6O½< > B0 36 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023CBD4EBB50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x0000023CBD4EF350, 16 bytes long.
Data: <ø5O½< > F8 35 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023CBD4EF4E0, 16 bytes long.
Data: <Ð5O½< > D0 35 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023CBD4EF300, 16 bytes long.
Data: <¨5O½< > A8 35 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023CBD4EF670, 16 bytes long.
Data: < 5O½< > 80 35 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023CBD4EF5D0, 16 bytes long.
Data: <X5O½< > 58 35 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000023CBD4EF440, 16 bytes long.
Data: <05O½< > 30 35 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000023CBD4EF800, 16 bytes long.
Data: <ðÖN½< > F0 D6 4E BD 3C 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000023CBD4ED6F0, 40 bytes long.
Data: < øN½< @¹ ¿< > 00 F8 4E BD 3C 02 00 00 40 B9 00 BF 3C 02 00 00
{253} normal block at 0x0000023CBD4EF620, 16 bytes long.
Data: < 5O½< > 10 35 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000023CBD4EF2B0, 16 bytes long.
Data: <è4O½< > E8 34 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000023CBD4EC150, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x0000023CBD4EF260, 16 bytes long.
Data: <À4O½< > C0 34 4F BD 3C 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x0000023CBD4F34C0, 992 bytes long.
Data: <`òN½< PÁN½< > 60 F2 4E BD 3C 02 00 00 50 C1 4E BD 3C 02 00 00
{85} normal block at 0x0000023CBD4EB7F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x0000023CBD4E7970, 16 bytes long.
Data: < ÖN½< > 80 D6 4E BD 3C 02 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000023CBD4ED680, 40 bytes long.
Data: <pyN½< ð·N½< > 70 79 4E BD 3C 02 00 00 F0 B7 4E BD 3C 02 00 00
{62} normal block at 0x0000023CBD4E79C0, 16 bytes long.
Data: < ê©¡ö > 80 EA A9 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023CBD4E6C00, 16 bytes long.
Data: <@é©¡ö > 40 E9 A9 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023CBD4E7150, 16 bytes long.
Data: <øW¦¡ö > F8 57 A6 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000023CBD4E71F0, 16 bytes long.
Data: <ØW¦¡ö > D8 57 A6 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000023CBD4E6CA0, 16 bytes long.
Data: <P ¦¡ö > 50 04 A6 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000023CBD4E7100, 16 bytes long.
Data: <0 ¦¡ö > 30 04 A6 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000023CBD4E75B0, 16 bytes long.
Data: <à ¦¡ö > E0 02 A6 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000023CBD4E6DE0, 16 bytes long.
Data: < ¦¡ö > 10 04 A6 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000023CBD4E6BB0, 16 bytes long.
Data: <p ¦¡ö > 70 04 A6 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000023CBD4E7010, 16 bytes long.
Data: < À¤¡ö > 18 C0 A4 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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