Task 38581438
| Name | HIF2A_A24_A43_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND2310_0 |
| Workunit | 31545961 |
| Created | 12 Dec 2025, 10:48:19 UTC |
| Sent | 12 Dec 2025, 10:48:28 UTC |
| Report deadline | 17 Dec 2025, 10:48:28 UTC |
| Received | 12 Dec 2025, 12:45:07 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 638664 |
| Run time | 1 min 16 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 109,332.44 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 54.05 MB |
| Peak swap size | 38.45 MB |
| Peak disk usage | 1.42 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>
23:41:17 (3076): wrapper (7.9.26016): starting
23:41:17 (3076): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A43_0.xml
QB_A24_A43.inpcrd
QB_A24_A43_input.yaml
QB_A24_A43.prmtop
run.bat
run.sh
23:41:18 (3076): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:41:18 (3076): 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\0\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\0\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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\0\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\0\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\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'
23:41:55 (3076): C:/Windows/system32/cmd.exe exited; CPU time 1.515625
23:41:55 (3076): app exit status: 0x16
23:41:55 (3076): 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: 889303 bytes.
Dumping objects ->
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Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835506} normal block at 0x0000019DF52B4750, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835495} normal block at 0x0000019DF52B4130, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835484} normal block at 0x0000019DF52B4590, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835473} normal block at 0x0000019DF52B44B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835442} normal block at 0x0000019DF6EACFE0, 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) : {3835429} normal block at 0x0000019DF52ACDC0, 8 bytes long.
Data: < 'õ > 00 00 27 F5 9D 01 00 00
{3833947} normal block at 0x0000019DF52ACF00, 8 bytes long.
Data: <@‘-õ > 40 91 2D F5 9D 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000019DF52A1800, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019DF529CA50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x0000019DF52B5160, 16 bytes long.
Data: <H_+õ > 48 5F 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019DF52B5070, 16 bytes long.
Data: < _+õ > 20 5F 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019DF52B0A10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x0000019DF52B4EE0, 16 bytes long.
Data: <ø^+õ > F8 5E 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019DF52B5250, 16 bytes long.
Data: <Ð^+õ > D0 5E 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019DF52B5020, 16 bytes long.
Data: <¨^+õ > A8 5E 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019DF52B4D00, 16 bytes long.
Data: < ^+õ > 80 5E 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019DF52B43D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x0000019DF52B4DF0, 16 bytes long.
Data: <(÷)õ > 28 F7 29 F5 9D 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019DF52B0590, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x0000019DF52B4CB0, 16 bytes long.
Data: < ÷)õ > 00 F7 29 F5 9D 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019DF52B5980, 16 bytes long.
Data: <Øö)õ > D8 F6 29 F5 9D 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019DF52B5660, 16 bytes long.
Data: <°ö)õ > B0 F6 29 F5 9D 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019DF52B57F0, 16 bytes long.
Data: < ö)õ > 88 F6 29 F5 9D 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019DF52B4E90, 16 bytes long.
Data: <`ö)õ > 60 F6 29 F5 9D 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019DF52B4C60, 16 bytes long.
Data: <8ö)õ > 38 F6 29 F5 9D 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019DF52B0710, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x0000019DF52B5890, 16 bytes long.
Data: < ö)õ > 10 F6 29 F5 9D 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019DF529F610, 320 bytes long.
Data: < X+õ +õ > 90 58 2B F5 9D 01 00 00 10 07 2B F5 9D 01 00 00
{269} normal block at 0x0000019DF52B4E40, 16 bytes long.
Data: <`^+õ > 60 5E 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019DF52B4F80, 16 bytes long.
Data: <8^+õ > 38 5E 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019DF52B0230, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x0000019DF52B56B0, 16 bytes long.
Data: < ^+õ > 10 5E 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019DF52B0830, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x0000019DF52B5340, 16 bytes long.
Data: <X]+õ > 58 5D 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019DF52B4DA0, 16 bytes long.
Data: <0]+õ > 30 5D 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019DF52B54D0, 16 bytes long.
Data: < ]+õ > 08 5D 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019DF52B4F30, 16 bytes long.
Data: <à\+õ > E0 5C 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019DF52B5520, 16 bytes long.
Data: <¸\+õ > B8 5C 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019DF52B5750, 16 bytes long.
Data: < \+õ > 90 5C 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019DF52B5B60, 16 bytes long.
Data: < A+õ > A0 41 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019DF52B41A0, 40 bytes long.
Data: <`[+õ àÏêö > 60 5B 2B F5 9D 01 00 00 E0 CF EA F6 9D 01 00 00
{255} normal block at 0x0000019DF52B5700, 16 bytes long.
Data: <p\+õ > 70 5C 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000019DF52B5200, 16 bytes long.
Data: <H\+õ > 48 5C 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000019DF52B0050, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x0000019DF52B4D50, 16 bytes long.
Data: < \+õ > 20 5C 2B F5 9D 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000019DF52B5C20, 992 bytes long.
Data: <PM+õ P +õ > 50 4D 2B F5 9D 01 00 00 50 00 2B F5 9D 01 00 00
{87} normal block at 0x0000019DF52AFED0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x0000019DF52AD310, 16 bytes long.
Data: < Î)õ > 00 CE 29 F5 9D 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000019DF529CE00, 40 bytes long.
Data: < Ó*õ Ðþ*õ > 10 D3 2A F5 9D 01 00 00 D0 FE 2A F5 9D 01 00 00
{64} normal block at 0x0000019DF52ACA50, 16 bytes long.
Data: < ê“1ö > 80 EA 93 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019DF52ACB40, 16 bytes long.
Data: <@é“1ö > 40 E9 93 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019DF52ACD70, 16 bytes long.
Data: <øW 1ö > F8 57 90 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019DF52AD040, 16 bytes long.
Data: <ØW 1ö > D8 57 90 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019DF52AD4A0, 16 bytes long.
Data: <P 1ö > 50 04 90 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019DF52AD3B0, 16 bytes long.
Data: <0 1ö > 30 04 90 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000019DF52AD4F0, 16 bytes long.
Data: <à 1ö > E0 02 90 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000019DF52ACD20, 16 bytes long.
Data: < 1ö > 10 04 90 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000019DF52ACFA0, 16 bytes long.
Data: <p 1ö > 70 04 90 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000019DF52ACAA0, 16 bytes long.
Data: < ÀŽ1ö > 18 C0 8E 31 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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