Task 38581300
| Name | HIF2A_A02_A43_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND3615_0 |
| Workunit | 31545826 |
| Created | 12 Dec 2025, 10:43:48 UTC |
| Sent | 12 Dec 2025, 10:43:56 UTC |
| Report deadline | 17 Dec 2025, 10:43:56 UTC |
| Received | 12 Dec 2025, 10:47:26 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 637164 |
| Run time | 1 min 25 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 29,359.11 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 60.61 MB |
| Peak swap size | 43.56 MB |
| Peak disk usage | 1.52 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>
04:45:05 (55132): wrapper (7.9.26016): starting
04:45:05 (55132): 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
04:45:06 (55132): Library/usr/bin/tar.exe exited; CPU time 0.031250
04:45:06 (55132): 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\125\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\125\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\125\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\125\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\125\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\125\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\125\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\125\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\125\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\125\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\125\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\125\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'
04:45:28 (55132): C:/Windows/system32/cmd.exe exited; CPU time 1.875000
04:45:28 (55132): app exit status: 0x16
04:45:28 (55132): 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: 945145 bytes.
Dumping objects ->
{3835318} normal block at 0x000001BC11919BF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835307} normal block at 0x000001BC11919AA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835296} normal block at 0x000001BC1191A590, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835285} normal block at 0x000001BC11919F70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835274} normal block at 0x000001BC1191A280, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835243} normal block at 0x000001BC118DE010, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835232} normal block at 0x000001BC1193F190, 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) : {3835229} normal block at 0x000001BC0F9BE800, 8 bytes long.
Data: < ø ¼ > 00 00 F8 0F BC 01 00 00
{3834578} normal block at 0x000001BC1193FDF0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001BC0F9BE030, 8 bytes long.
Data: < s› ¼ > A0 73 9B 11 BC 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001BC0F9B1100, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001BC0F9B1A10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001BC0F9C6650, 16 bytes long.
Data: <Xwœ ¼ > 58 77 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001BC0F9C6F60, 16 bytes long.
Data: <0wœ ¼ > 30 77 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BC0F9C22E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001BC0F9C6830, 16 bytes long.
Data: < wœ ¼ > 08 77 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BC0F9C64C0, 16 bytes long.
Data: <àvœ ¼ > E0 76 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BC0F9C6BF0, 16 bytes long.
Data: <¸vœ ¼ > B8 76 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BC0F9C6DD0, 16 bytes long.
Data: < vœ ¼ > 90 76 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BC0F9C4EC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001BC0F9C6B00, 16 bytes long.
Data: <¸÷š ¼ > B8 F7 9A 0F BC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BC0F9C1BC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001BC0F9C6470, 16 bytes long.
Data: < ÷š ¼ > 90 F7 9A 0F BC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BC0F9C6560, 16 bytes long.
Data: <h÷š ¼ > 68 F7 9A 0F BC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BC0F9C73C0, 16 bytes long.
Data: <@÷š ¼ > 40 F7 9A 0F BC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BC0F9C68D0, 16 bytes long.
Data: < ÷š ¼ > 18 F7 9A 0F BC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BC0F9C7320, 16 bytes long.
Data: <ðöš ¼ > F0 F6 9A 0F BC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BC0F9C69C0, 16 bytes long.
Data: <Èöš ¼ > C8 F6 9A 0F BC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BC0F9C1B60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001BC0F9C6510, 16 bytes long.
Data: < öš ¼ > A0 F6 9A 0F BC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BC0F9AF6A0, 320 bytes long.
Data: < eœ ¼ ` œ ¼ > 10 65 9C 0F BC 01 00 00 60 1B 9C 0F BC 01 00 00
{276} normal block at 0x000001BC0F9C6CE0, 16 bytes long.
Data: <pvœ ¼ > 70 76 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BC0F9C7280, 16 bytes long.
Data: <Hvœ ¼ > 48 76 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BC0F9C24C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001BC0F9C72D0, 16 bytes long.
Data: < vœ ¼ > 20 76 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BC0F9C27C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001BC0F9C6D80, 16 bytes long.
Data: <huœ ¼ > 68 75 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BC0F9C6AB0, 16 bytes long.
Data: <@uœ ¼ > 40 75 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BC0F9C6B50, 16 bytes long.
Data: < uœ ¼ > 18 75 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BC0F9C6A60, 16 bytes long.
Data: <ðtœ ¼ > F0 74 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BC0F9C6F10, 16 bytes long.
Data: <Ètœ ¼ > C8 74 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BC0F9C6600, 16 bytes long.
Data: < tœ ¼ > A0 74 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BC0F9C6A10, 16 bytes long.
Data: < Pœ ¼ > 10 50 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BC0F9C5010, 40 bytes long.
Data: < jœ ¼ à ¼ > 10 6A 9C 0F BC 01 00 00 10 E0 8D 11 BC 01 00 00
{262} normal block at 0x000001BC0F9C6C90, 16 bytes long.
Data: < tœ ¼ > 80 74 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BC0F9C66F0, 16 bytes long.
Data: <Xtœ ¼ > 58 74 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BC0F9C2760, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001BC0F9C7230, 16 bytes long.
Data: <0tœ ¼ > 30 74 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BC0F9C7430, 992 bytes long.
Data: <0rœ ¼ `'œ ¼ > 30 72 9C 0F BC 01 00 00 60 27 9C 0F BC 01 00 00
{94} normal block at 0x000001BC0F9C2700, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001BC0F9BE210, 16 bytes long.
Data: < Lœ ¼ > 90 4C 9C 0F BC 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001BC0F9C4C90, 40 bytes long.
Data: < â› ¼ 'œ ¼ > 10 E2 9B 0F BC 01 00 00 00 27 9C 0F BC 01 00 00
{71} normal block at 0x000001BC0F9BE8A0, 16 bytes long.
Data: < ê¬þö > 80 EA AC FE F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BC0F9BEBC0, 16 bytes long.
Data: <@é¬þö > 40 E9 AC FE F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BC0F9BEB20, 16 bytes long.
Data: <øW©þö > F8 57 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BC0F9BEB70, 16 bytes long.
Data: <ØW©þö > D8 57 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BC0F9BEDF0, 16 bytes long.
Data: <P ©þö > 50 04 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BC0F9BDFE0, 16 bytes long.
Data: <0 ©þö > 30 04 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BC0F9BED50, 16 bytes long.
Data: <à ©þö > E0 02 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BC0F9BECB0, 16 bytes long.
Data: < ©þö > 10 04 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BC0F9BE440, 16 bytes long.
Data: <p ©þö > 70 04 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BC0F9BEE90, 16 bytes long.
Data: < À§þö > 18 C0 A7 FE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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