Task 38584373
| Name | HIF2A_A13_A43_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND0645_8 |
| Workunit | 31545879 |
| Created | 17 Dec 2025, 11:44:36 UTC |
| Sent | 17 Dec 2025, 11:44:52 UTC |
| Report deadline | 22 Dec 2025, 11:44:52 UTC |
| Received | 17 Dec 2025, 12:05:16 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 628831 |
| Run time | 4 min 38 sec |
| CPU time | 3 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 5,308.93 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 50.82 MB |
| Peak swap size | 36.94 MB |
| Peak disk usage | 2.02 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
06:02:47 (92892): wrapper (7.9.26016): starting
06:02:47 (92892): 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
06:02:50 (92892): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:02:50 (92892): 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'
06:03:19 (92892): C:/Windows/system32/cmd.exe exited; CPU time 3.015625
06:03:19 (92892): app exit status: 0x16
06:03:19 (92892): called boinc_finish(195)
0 bytes in 0 Free Blocks.
426 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: 695200 bytes.
Dumping objects ->
{3835373} normal block at 0x0000028ED4DDF190, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835362} normal block at 0x0000028ED4DDF2E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835351} normal block at 0x0000028ED4DDF120, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835340} normal block at 0x0000028ED4DDF970, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835329} normal block at 0x0000028ED4DDF900, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835298} normal block at 0x0000028ED4DF6290, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x0000028ED756CAA0, 85 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) : {3835284} normal block at 0x0000028ED4DDC270, 8 bytes long.
Data: < ©ÖŽ > 00 00 A9 D6 8E 02 00 00
{3834617} normal block at 0x0000028ED756B880, 85 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 0x0000028ED4DDCCC0, 8 bytes long.
Data: <`×ÛÔŽ > 60 D7 DB D4 8E 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000028ED4DC08D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000028ED4DC2300, 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 0x0000028ED4DDCC20, 16 bytes long.
Data: <x¼ÝÔŽ > 78 BC DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000028ED4DDC2C0, 16 bytes long.
Data: <P¼ÝÔŽ > 50 BC DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000028ED4DD65A0, 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 0x0000028ED4DDC7C0, 16 bytes long.
Data: <(¼ÝÔŽ > 28 BC DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000028ED4DDC950, 16 bytes long.
Data: < ¼ÝÔŽ > 00 BC DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028ED4DDC9A0, 16 bytes long.
Data: <Ø»ÝÔŽ > D8 BB DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028ED4DDC220, 16 bytes long.
Data: <°»ÝÔŽ > B0 BB DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028ED4DD4850, 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 0x0000028ED4DD88B0, 16 bytes long.
Data: <XµÝÔŽ > 58 B5 DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000028ED4DD5D60, 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 0x0000028ED4DD8720, 16 bytes long.
Data: <0µÝÔŽ > 30 B5 DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000028ED4DD8860, 16 bytes long.
Data: < µÝÔŽ > 08 B5 DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028ED4DD86D0, 16 bytes long.
Data: <à´ÝÔŽ > E0 B4 DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000028ED4DD82C0, 16 bytes long.
Data: <¸´ÝÔŽ > B8 B4 DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000028ED4DD8220, 16 bytes long.
Data: < ´ÝÔŽ > 90 B4 DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028ED4DD8040, 16 bytes long.
Data: <h´ÝÔŽ > 68 B4 DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028ED4DD5A00, 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 0x0000028ED4DD7F50, 16 bytes long.
Data: <@´ÝÔŽ > 40 B4 DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028ED4DDB440, 320 bytes long.
Data: <P ÝÔŽ ZÝÔŽ > 50 7F DD D4 8E 02 00 00 00 5A DD D4 8E 02 00 00
{279} normal block at 0x0000028ED4DD81D0, 16 bytes long.
Data: < »ÝÔŽ > 90 BB DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028ED4DD85E0, 16 bytes long.
Data: <h»ÝÔŽ > 68 BB DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000028ED4DD5BE0, 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 0x0000028ED4DD7FA0, 16 bytes long.
Data: <@»ÝÔŽ > 40 BB DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000028ED4DD6120, 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 0x0000028ED4DD7D20, 16 bytes long.
Data: < ºÝÔŽ > 88 BA DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028ED4DD7E10, 16 bytes long.
Data: <`ºÝÔŽ > 60 BA DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028ED4DD7C30, 16 bytes long.
Data: <8ºÝÔŽ > 38 BA DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028ED4DD7B90, 16 bytes long.
Data: < ºÝÔŽ > 10 BA DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000028ED4DD8180, 16 bytes long.
Data: <è¹ÝÔŽ > E8 B9 DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028ED4DD8310, 16 bytes long.
Data: <À¹ÝÔŽ > C0 B9 DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028ED4DD7D70, 16 bytes long.
Data: <ðJÝÔŽ > F0 4A DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000028ED4DD4AF0, 40 bytes long.
Data: <p}ÝÔŽ bßÔŽ > 70 7D DD D4 8E 02 00 00 90 62 DF D4 8E 02 00 00
{265} normal block at 0x0000028ED4DD7B40, 16 bytes long.
Data: < ¹ÝÔŽ > A0 B9 DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000028ED4DD84F0, 16 bytes long.
Data: <x¹ÝÔŽ > 78 B9 DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000028ED4DD63C0, 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 0x0000028ED4DD7C80, 16 bytes long.
Data: <P¹ÝÔŽ > 50 B9 DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000028ED4DDB950, 992 bytes long.
Data: < |ÝÔŽ ÀcÝÔŽ > 80 7C DD D4 8E 02 00 00 C0 63 DD D4 8E 02 00 00
{97} normal block at 0x0000028ED4DD66C0, 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 0x0000028ED4DD8900, 16 bytes long.
Data: <°LÝÔŽ > B0 4C DD D4 8E 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000028ED4DD4CB0, 40 bytes long.
Data: < ‰ÝÔŽ ÀfÝÔŽ > 00 89 DD D4 8E 02 00 00 C0 66 DD D4 8E 02 00 00
{74} normal block at 0x0000028ED4DD7EB0, 16 bytes long.
Data: < ê† ö > 80 EA 86 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000028ED4DD7E60, 16 bytes long.
Data: <@é† ö > 40 E9 86 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000028ED4DD8590, 16 bytes long.
Data: <øWƒ ö > F8 57 83 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000028ED4DD7DC0, 16 bytes long.
Data: <ØWƒ ö > D8 57 83 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000028ED4DD8540, 16 bytes long.
Data: <P ƒ ö > 50 04 83 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000028ED4DD7F00, 16 bytes long.
Data: <0 ƒ ö > 30 04 83 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000028ED4DD83B0, 16 bytes long.
Data: <à ƒ ö > E0 02 83 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028ED4DD8270, 16 bytes long.
Data: < ƒ ö > 10 04 83 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000028ED4DD8090, 16 bytes long.
Data: <p ƒ ö > 70 04 83 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000028ED4DCD750, 16 bytes long.
Data: < À ö > 18 C0 81 1A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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