Task 38581301
| Name | HIF2A_A02_A43_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND2987_0 |
| Workunit | 31545827 |
| Created | 12 Dec 2025, 10:43:53 UTC |
| Sent | 12 Dec 2025, 10:43:56 UTC |
| Report deadline | 17 Dec 2025, 10:43:56 UTC |
| Received | 12 Dec 2025, 13:50:29 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 | 81.37 MB |
| Peak swap size | 23.74 GB |
| 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>
07:44:44 (21080): wrapper (7.9.26016): starting
07:44:44 (21080): 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
07:44:45 (21080): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:44:45 (21080): 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\124\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\124\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\124\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\124\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\124\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\124\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\124\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\124\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\124\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\124\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\124\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\124\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'
07:45:07 (21080): C:/Windows/system32/cmd.exe exited; CPU time 1.921875
07:45:07 (21080): app exit status: 0x16
07:45:07 (21080): 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: 942829 bytes.
Dumping objects ->
{3835318} normal block at 0x0000020B87E47CF0, 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 0x0000020B87E48000, 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 0x0000020B87E47EB0, 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 0x0000020B87E47DD0, 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 0x0000020B87E47D60, 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 0x0000020B87DE80D0, 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 0x0000020B87E0E930, 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 0x0000020B85F3D8E0, 8 bytes long.
Data: < ê… > 00 00 EA 85 0B 02 00 00
{3834578} normal block at 0x0000020B87E0E510, 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 0x0000020B85F3DB60, 8 bytes long.
Data: <Ð1å‡ > D0 31 E5 87 0B 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020B85F30980, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020B85F32310, 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 0x0000020B85F459D0, 16 bytes long.
Data: < iô… > 98 69 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020B85F45F20, 16 bytes long.
Data: <piô… > 70 69 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020B85F40E90, 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 0x0000020B85F461F0, 16 bytes long.
Data: <Hiô… > 48 69 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020B85F461A0, 16 bytes long.
Data: < iô… > 20 69 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020B85F46150, 16 bytes long.
Data: <øhô… > F8 68 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020B85F46100, 16 bytes long.
Data: <Ðhô… > D0 68 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020B85F43980, 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 0x0000020B85F45B10, 16 bytes long.
Data: <(ÿò… > 28 FF F2 85 0B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020B85F40A10, 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 0x0000020B85F45980, 16 bytes long.
Data: < ÿò… > 00 FF F2 85 0B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020B85F45E80, 16 bytes long.
Data: <Øþò… > D8 FE F2 85 0B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020B85F45FC0, 16 bytes long.
Data: <°þò… > B0 FE F2 85 0B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020B85F45E30, 16 bytes long.
Data: < þò… > 88 FE F2 85 0B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020B85F462E0, 16 bytes long.
Data: <`þò… > 60 FE F2 85 0B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020B85F45840, 16 bytes long.
Data: <8þò… > 38 FE F2 85 0B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020B85F41430, 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 0x0000020B85F45F70, 16 bytes long.
Data: < þò… > 10 FE F2 85 0B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020B85F2FE10, 320 bytes long.
Data: <p_ô… 0 ô… > 70 5F F4 85 0B 02 00 00 30 14 F4 85 0B 02 00 00
{276} normal block at 0x0000020B85F45750, 16 bytes long.
Data: <°hô… > B0 68 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020B85F460B0, 16 bytes long.
Data: < hô… > 88 68 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020B85F41790, 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 0x0000020B85F46330, 16 bytes long.
Data: <`hô… > 60 68 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020B85F40B30, 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 0x0000020B85F45D90, 16 bytes long.
Data: <¨gô… > A8 67 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020B85F45A70, 16 bytes long.
Data: < gô… > 80 67 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020B85F46060, 16 bytes long.
Data: <Xgô… > 58 67 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020B85F45ED0, 16 bytes long.
Data: <0gô… > 30 67 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020B85F458E0, 16 bytes long.
Data: < gô… > 08 67 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020B85F45930, 16 bytes long.
Data: <àfô… > E0 66 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020B85F45CF0, 16 bytes long.
Data: < 8ô… > A0 38 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020B85F438A0, 40 bytes long.
Data: <ð\ô… Ð Þ‡ > F0 5C F4 85 0B 02 00 00 D0 80 DE 87 0B 02 00 00
{262} normal block at 0x0000020B85F46600, 16 bytes long.
Data: <Àfô… > C0 66 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020B85F46010, 16 bytes long.
Data: < fô… > 98 66 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020B85F41550, 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 0x0000020B85F45700, 16 bytes long.
Data: <pfô… > 70 66 F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020B85F46670, 992 bytes long.
Data: < Wô… P ô… > 00 57 F4 85 0B 02 00 00 50 15 F4 85 0B 02 00 00
{94} normal block at 0x0000020B85F40E30, 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 0x0000020B85F3D2F0, 16 bytes long.
Data: <p=ô… > 70 3D F4 85 0B 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000020B85F43D70, 40 bytes long.
Data: <ðÒó… 0 ô… > F0 D2 F3 85 0B 02 00 00 30 0E F4 85 0B 02 00 00
{71} normal block at 0x0000020B85F3D570, 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 0x0000020B85F3D7F0, 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 0x0000020B85F3D660, 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 0x0000020B85F3D200, 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 0x0000020B85F3D890, 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 0x0000020B85F3D9D0, 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 0x0000020B85F3DD90, 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 0x0000020B85F3DA70, 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 0x0000020B85F3D750, 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 0x0000020B85F3DA20, 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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