Task 38583989
| Name | HIF2A_A13_A43_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND8810_3 |
| Workunit | 31545877 |
| Created | 15 Dec 2025, 4:07:38 UTC |
| Sent | 15 Dec 2025, 4:07:44 UTC |
| Report deadline | 20 Dec 2025, 4:07:44 UTC |
| Received | 15 Dec 2025, 4:11:19 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 602122 |
| Run time | 42 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 2,223.81 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 58.41 MB |
| Peak swap size | 42.00 MB |
| Peak disk usage | 1.52 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>
23:08:54 (45388): wrapper (7.9.26016): starting
23:08:54 (45388): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A43_0.xml
QB_A13_A43.inpcrd
QB_A13_A43_input.yaml
QB_A13_A43.prmtop
run.bat
run.sh
23:08:55 (45388): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:08:55 (45388): 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\13\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\13\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\13\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\13\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\13\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\13\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'
23:09:12 (45388): C:/Windows/system32/cmd.exe exited; CPU time 0.984375
23:09:12 (45388): app exit status: 0x16
23:09:12 (45388): 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: 555765 bytes.
Dumping objects ->
{3835514} normal block at 0x00000183F1515220, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835503} normal block at 0x00000183F1515140, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835492} normal block at 0x00000183F15150D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835481} normal block at 0x00000183F1515060, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835470} normal block at 0x00000183F1514FF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835439} normal block at 0x00000183F3306EC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835428} normal block at 0x00000183F331F660, 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) : {3835425} normal block at 0x00000183F150DDE0, 8 bytes long.
Data: < ´ñƒ > 00 00 B4 F1 83 01 00 00
{3834678} normal block at 0x00000183F331FB30, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x00000183F150DB60, 8 bytes long.
Data: < °1óƒ > 80 B0 31 F3 83 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000183F1502420, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000183F14FF1B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x00000183F1515EE0, 16 bytes long.
Data: < nQñƒ > 08 6E 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000183F1515E90, 16 bytes long.
Data: <àmQñƒ > E0 6D 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000183F150F880, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x00000183F1515DA0, 16 bytes long.
Data: <¸mQñƒ > B8 6D 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000183F1515D50, 16 bytes long.
Data: < mQñƒ > 90 6D 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000183F1515D00, 16 bytes long.
Data: <hmQñƒ > 68 6D 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000183F1515C60, 16 bytes long.
Data: <@mQñƒ > 40 6D 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000183F1514F10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x00000183F1516340, 16 bytes long.
Data: <¸¹Oñƒ > B8 B9 4F F1 83 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000183F1510540, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x00000183F1515E40, 16 bytes long.
Data: < ¹Oñƒ > 90 B9 4F F1 83 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000183F1515BC0, 16 bytes long.
Data: <h¹Oñƒ > 68 B9 4F F1 83 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000183F1516750, 16 bytes long.
Data: <@¹Oñƒ > 40 B9 4F F1 83 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000183F1516610, 16 bytes long.
Data: < ¹Oñƒ > 18 B9 4F F1 83 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000183F1516570, 16 bytes long.
Data: <ð¸Oñƒ > F0 B8 4F F1 83 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000183F1515B20, 16 bytes long.
Data: <ȸOñƒ > C8 B8 4F F1 83 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000183F150F7C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x00000183F15166B0, 16 bytes long.
Data: < ¸Oñƒ > A0 B8 4F F1 83 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000183F14FB8A0, 320 bytes long.
Data: <°fQñƒ À÷Pñƒ > B0 66 51 F1 83 01 00 00 C0 F7 50 F1 83 01 00 00
{272} normal block at 0x00000183F15167F0, 16 bytes long.
Data: < mQñƒ > 20 6D 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000183F15169D0, 16 bytes long.
Data: <ølQñƒ > F8 6C 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000183F15103C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x00000183F1515B70, 16 bytes long.
Data: <ÐlQñƒ > D0 6C 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000183F150FEE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x00000183F1516840, 16 bytes long.
Data: < lQñƒ > 18 6C 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000183F1515CB0, 16 bytes long.
Data: <ðkQñƒ > F0 6B 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000183F1515C10, 16 bytes long.
Data: <ÈkQñƒ > C8 6B 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000183F1516930, 16 bytes long.
Data: < kQñƒ > A0 6B 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000183F1516A70, 16 bytes long.
Data: <xkQñƒ > 78 6B 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000183F15162F0, 16 bytes long.
Data: <PkQñƒ > 50 6B 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000183F15161B0, 16 bytes long.
Data: <pSQñƒ > 70 53 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000183F1515370, 40 bytes long.
Data: <°aQñƒ Àn0óƒ > B0 61 51 F1 83 01 00 00 C0 6E 30 F3 83 01 00 00
{258} normal block at 0x00000183F1516980, 16 bytes long.
Data: <0kQñƒ > 30 6B 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000183F1516480, 16 bytes long.
Data: < kQñƒ > 08 6B 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000183F150F820, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x00000183F1516A20, 16 bytes long.
Data: <àjQñƒ > E0 6A 51 F1 83 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000183F1516AE0, 992 bytes long.
Data: < jQñƒ øPñƒ > 20 6A 51 F1 83 01 00 00 20 F8 50 F1 83 01 00 00
{90} normal block at 0x00000183F150FDC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x00000183F150D980, 16 bytes long.
Data: < ËOñƒ > 80 CB 4F F1 83 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x00000183F14FCB80, 40 bytes long.
Data: < ÙPñƒ ÀýPñƒ > 80 D9 50 F1 83 01 00 00 C0 FD 50 F1 83 01 00 00
{67} normal block at 0x00000183F150E240, 16 bytes long.
Data: < ê F÷ > 80 EA 19 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000183F150D7F0, 16 bytes long.
Data: <@é F÷ > 40 E9 19 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000183F150DCA0, 16 bytes long.
Data: <øW F÷ > F8 57 16 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000183F150DD40, 16 bytes long.
Data: <ØW F÷ > D8 57 16 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000183F150D700, 16 bytes long.
Data: <P F÷ > 50 04 16 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000183F150E1A0, 16 bytes long.
Data: <0 F÷ > 30 04 16 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000183F150DF20, 16 bytes long.
Data: <à F÷ > E0 02 16 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000183F150D7A0, 16 bytes long.
Data: < F÷ > 10 04 16 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000183F150D660, 16 bytes long.
Data: <p F÷ > 70 04 16 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000183F150D5C0, 16 bytes long.
Data: < À F÷ > 18 C0 14 46 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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