Task 38581662
| Name | HIF2A_A02_A43_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND3615_5 |
| Workunit | 31545826 |
| Created | 12 Dec 2025, 12:19:18 UTC |
| Sent | 12 Dec 2025, 12:19:25 UTC |
| Report deadline | 17 Dec 2025, 12:19:25 UTC |
| Received | 13 Dec 2025, 11:23:13 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 602112 |
| Run time | 1 min 44 sec |
| CPU time | 3 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,357.53 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 31.34 MB |
| Peak swap size | 21.97 MB |
| Peak disk usage | 1.41 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
12:21:16 (9668): wrapper (7.9.26016): starting
12:21:16 (9668): 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
12:21:20 (9668): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:21:21 (9668): 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 'D:\BOINC\DATA\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 'D:\BOINC\DATA\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 "D:\BOINC\DATA\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINC\DATA\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\BOINC\DATA\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "D:\BOINC\DATA\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "D:\BOINC\DATA\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "D:\BOINC\DATA\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "D:\BOINC\DATA\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 157, in _checkInput
self._exit('JOB_TRANSPORT needs to be specified')
File "D:\BOINC\DATA\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "D:\BOINC\DATA\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "D:\BOINC\DATA\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'
12:21:50 (9668): C:/Windows/system32/cmd.exe exited; CPU time 3.843750
12:21:50 (9668): app exit status: 0x16
12:21:50 (9668): called boinc_finish(195)
0 bytes in 0 Free Blocks.
346 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: 436448 bytes.
Dumping objects ->
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{3835273} normal block at 0x00000239B17D3DE0, 32 bytes long.
Data: <HOME=D:\BOINC\DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41
{3835262} normal block at 0x00000239B17D31E0, 32 bytes long.
Data: <TMP=D:\BOINC\DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41 54
{3835251} normal block at 0x00000239B17D38A0, 32 bytes long.
Data: <TEMP=D:\BOINC\DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41
{3835240} normal block at 0x00000239B17D40E0, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835209} normal block at 0x00000239AFC46FD0, 48 bytes long.
Data: <PATH=D:\BOINC\DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41
{3835198} normal block at 0x00000239B179B4D0, 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) : {3835195} normal block at 0x00000239AFC17D20, 8 bytes long.
Data: < ¾¯9 > 00 00 BE AF 39 02 00 00
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Data: < &~±9 > 80 26 7E B1 39 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000239AFC22140, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000239AFC0B140, 80 bytes long.
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Data: < B¯9 > 10 42 C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000239AFC1DDE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
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Data: <èA¯9 > E8 41 C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
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Data: <ÀA¯9 > C0 41 C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000239AFC23810, 16 bytes long.
Data: < A¯9 > 98 41 C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000239AFC237C0, 16 bytes long.
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{281} normal block at 0x00000239AFC1BDF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000239AFC23220, 16 bytes long.
Data: <8[À¯9 > 38 5B C0 AF 39 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000239AFC1DEA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000239AFC23AE0, 16 bytes long.
Data: < [À¯9 > 10 5B C0 AF 39 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000239AFC236D0, 16 bytes long.
Data: <èZÀ¯9 > E8 5A C0 AF 39 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000239AFC23590, 16 bytes long.
Data: <ÀZÀ¯9 > C0 5A C0 AF 39 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000239AFC23E00, 16 bytes long.
Data: < ZÀ¯9 > 98 5A C0 AF 39 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000239AFC234F0, 16 bytes long.
Data: <pZÀ¯9 > 70 5A C0 AF 39 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000239AFC23BD0, 16 bytes long.
Data: <HZÀ¯9 > 48 5A C0 AF 39 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000239AFC1D4E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x00000239AFC235E0, 16 bytes long.
Data: < ZÀ¯9 > 20 5A C0 AF 39 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000239AFC05A20, 320 bytes long.
Data: <à5¯9 àÔÁ¯9 > E0 35 C2 AF 39 02 00 00 E0 D4 C1 AF 39 02 00 00
{268} normal block at 0x00000239AFC232C0, 16 bytes long.
Data: <PA¯9 > 50 41 C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000239AFC23950, 16 bytes long.
Data: <(A¯9 > 28 41 C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000239AFC1DBA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x00000239AFC23900, 16 bytes long.
Data: < A¯9 > 00 41 C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000239AFC1D660, 32 bytes long.
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{263} normal block at 0x00000239AFC23D10, 16 bytes long.
Data: <H@¯9 > 48 40 C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000239AFC23680, 16 bytes long.
Data: < @¯9 > 20 40 C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000239AFC23770, 16 bytes long.
Data: <ø?¯9 > F8 3F C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000239AFC23D60, 16 bytes long.
Data: <Ð?¯9 > D0 3F C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000239AFC23A90, 16 bytes long.
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{258} normal block at 0x00000239AFC23180, 16 bytes long.
Data: < ?¯9 > 80 3F C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000239AFC238B0, 16 bytes long.
Data: < ÁÁ¯9 > 00 C1 C1 AF 39 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000239AFC1C100, 40 bytes long.
Data: <°8¯9 Ðoį9 > B0 38 C2 AF 39 02 00 00 D0 6F C4 AF 39 02 00 00
{254} normal block at 0x00000239AFC23040, 16 bytes long.
Data: <`?¯9 > 60 3F C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000239AFC234A0, 16 bytes long.
Data: <8?¯9 > 38 3F C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000239AFC1DF60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000239AFC23860, 16 bytes long.
Data: < ?¯9 > 10 3F C2 AF 39 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000239AFC23F10, 992 bytes long.
Data: <`8¯9 `ßÁ¯9 > 60 38 C2 AF 39 02 00 00 60 DF C1 AF 39 02 00 00
{86} normal block at 0x00000239AFC1D2A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000239AFC17B40, 16 bytes long.
Data: < ½Á¯9 > 80 BD C1 AF 39 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000239AFC1BD80, 40 bytes long.
Data: <@{Á¯9  ÒÁ¯9 > 40 7B C1 AF 39 02 00 00 A0 D2 C1 AF 39 02 00 00
{63} normal block at 0x00000239AFC174B0, 16 bytes long.
Data: < ê úö > 80 EA 1D FA F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000239AFC17AF0, 16 bytes long.
Data: <@é úö > 40 E9 1D FA F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000239AFC17820, 16 bytes long.
Data: <øW úö > F8 57 1A FA F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000239AFC18040, 16 bytes long.
Data: <ØW úö > D8 57 1A FA F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000239AFC17730, 16 bytes long.
Data: <P úö > 50 04 1A FA F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000239AFC17E10, 16 bytes long.
Data: <0 úö > 30 04 1A FA F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000239AFC175A0, 16 bytes long.
Data: <à úö > E0 02 1A FA F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000239AFC177D0, 16 bytes long.
Data: < úö > 10 04 1A FA F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000239AFC17460, 16 bytes long.
Data: <p úö > 70 04 1A FA F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000239AFC17AA0, 16 bytes long.
Data: < À úö > 18 C0 18 FA F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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