Task 38581817
| Name | HIF2A_A24_A43_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND4718_4 |
| Workunit | 31545962 |
| Created | 12 Dec 2025, 15:42:19 UTC |
| Sent | 12 Dec 2025, 15:42:23 UTC |
| Report deadline | 17 Dec 2025, 15:42:23 UTC |
| Received | 12 Dec 2025, 19:29:15 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 627682 |
| Run time | 1 min |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 57,422.49 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 51.37 MB |
| Peak swap size | 36.62 MB |
| Peak disk usage | 1.43 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>
20:28:23 (20284): wrapper (7.9.26016): starting
20:28:23 (20284): 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
20:28:24 (20284): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:28:24 (20284): 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'
20:28:35 (20284): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
20:28:35 (20284): app exit status: 0x16
20:28:35 (20284): called boinc_finish(195)
0 bytes in 0 Free Blocks.
616 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: 279107 bytes.
Dumping objects ->
{3835313} normal block at 0x000001D5498AAF80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835302} normal block at 0x000001D5498AAC00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835291} normal block at 0x000001D5498AAB90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835280} normal block at 0x000001D547CE7630, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835269} normal block at 0x000001D547CE7550, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835238} normal block at 0x000001D5498B7850, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835227} normal block at 0x000001D549916660, 180 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) : {3835224} normal block at 0x000001D547CDD740, 8 bytes long.
Data: < HÕ > 00 00 08 48 D5 01 00 00
{3834593} normal block at 0x000001D549916570, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000001D547CDDDD0, 8 bytes long.
Data: < y”IÕ > 90 79 94 49 D5 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D547CD0740, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D547CD22C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001D547CE8660, 16 bytes long.
Data: <h ÎGÕ > 68 05 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D547CE84D0, 16 bytes long.
Data: <@ ÎGÕ > 40 05 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D547CE0EC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001D547CE7E90, 16 bytes long.
Data: < ÎGÕ > 18 05 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D547CE7BC0, 16 bytes long.
Data: <ð ÎGÕ > F0 04 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D547CE7AD0, 16 bytes long.
Data: <È ÎGÕ > C8 04 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D547CE7EE0, 16 bytes long.
Data: <  ÎGÕ > A0 04 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D547CE7400, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001D547CE8200, 16 bytes long.
Data: < öÌGÕ > 88 F6 CC 47 D5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D547CE0CE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001D547CE7FD0, 16 bytes long.
Data: <`öÌGÕ > 60 F6 CC 47 D5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D547CE80C0, 16 bytes long.
Data: <8öÌGÕ > 38 F6 CC 47 D5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D547CE8160, 16 bytes long.
Data: < öÌGÕ > 10 F6 CC 47 D5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D547CE8340, 16 bytes long.
Data: <èõÌGÕ > E8 F5 CC 47 D5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D547CE7A80, 16 bytes long.
Data: <ÀõÌGÕ > C0 F5 CC 47 D5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D547CE7A30, 16 bytes long.
Data: < õÌGÕ > 98 F5 CC 47 D5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D547CE1760, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001D547CE8070, 16 bytes long.
Data: <põÌGÕ > 70 F5 CC 47 D5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D547CCF570, 320 bytes long.
Data: <p ÎGÕ ` ÎGÕ > 70 80 CE 47 D5 01 00 00 60 17 CE 47 D5 01 00 00
{277} normal block at 0x000001D547CE7F80, 16 bytes long.
Data: < ÎGÕ > 80 04 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D547CE7B70, 16 bytes long.
Data: <X ÎGÕ > 58 04 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D547CE13A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001D547CE79E0, 16 bytes long.
Data: <0 ÎGÕ > 30 04 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D547CE0F80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001D547CE8020, 16 bytes long.
Data: <x ÎGÕ > 78 03 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D547CE7C10, 16 bytes long.
Data: <P ÎGÕ > 50 03 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D547CE7940, 16 bytes long.
Data: <( ÎGÕ > 28 03 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D547CE7CB0, 16 bytes long.
Data: < ÎGÕ > 00 03 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D547CE82F0, 16 bytes long.
Data: <Ø ÎGÕ > D8 02 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D547CE78F0, 16 bytes long.
Data: <° ÎGÕ > B0 02 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D547CE7F30, 16 bytes long.
Data: < pÎGÕ > 80 70 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D547CE7080, 40 bytes long.
Data: <0 ÎGÕ Px‹IÕ > 30 7F CE 47 D5 01 00 00 50 78 8B 49 D5 01 00 00
{263} normal block at 0x000001D547CE78A0, 16 bytes long.
Data: < ÎGÕ > 90 02 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D547CE7B20, 16 bytes long.
Data: <h ÎGÕ > 68 02 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D547CE0A40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001D547CE82A0, 16 bytes long.
Data: <@ ÎGÕ > 40 02 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D547CE0240, 992 bytes long.
Data: < ‚ÎGÕ @ ÎGÕ > A0 82 CE 47 D5 01 00 00 40 0A CE 47 D5 01 00 00
{95} normal block at 0x000001D547CE17C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001D547CDD6A0, 16 bytes long.
Data: <°rÎGÕ > B0 72 CE 47 D5 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001D547CE72B0, 40 bytes long.
Data: < ÖÍGÕ À ÎGÕ > A0 D6 CD 47 D5 01 00 00 C0 17 CE 47 D5 01 00 00
{72} normal block at 0x000001D547CDD650, 16 bytes long.
Data: < ê?þ÷ > 80 EA 3F FE F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D547CDE000, 16 bytes long.
Data: <@é?þ÷ > 40 E9 3F FE F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D547CDD1A0, 16 bytes long.
Data: <øW<þ÷ > F8 57 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D547CDD600, 16 bytes long.
Data: <ØW<þ÷ > D8 57 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D547CDDC40, 16 bytes long.
Data: <P <þ÷ > 50 04 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D547CDDBF0, 16 bytes long.
Data: <0 <þ÷ > 30 04 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D547CDDBA0, 16 bytes long.
Data: <à <þ÷ > E0 02 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D547CDD790, 16 bytes long.
Data: < <þ÷ > 10 04 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D547CDDE70, 16 bytes long.
Data: <p <þ÷ > 70 04 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D547CDDC90, 16 bytes long.
Data: < À:þ÷ > 18 C0 3A FE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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