Task 38582763
| Name | HIF2A_A02_A43_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND3615_6 |
| Workunit | 31545826 |
| Created | 13 Dec 2025, 11:23:18 UTC |
| Sent | 13 Dec 2025, 11:23:22 UTC |
| Report deadline | 18 Dec 2025, 11:23:22 UTC |
| Received | 13 Dec 2025, 19:56:22 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 638061 |
| Run time | 1 min 25 sec |
| CPU time | 2 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 15,399.00 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 52.15 MB |
| Peak swap size | 38.14 MB |
| Peak disk usage | 3.35 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>
13:52:03 (7232): wrapper (7.9.26016): starting
13:52:03 (7232): 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
13:52:04 (7232): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:52:04 (7232): 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\30\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\30\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\30\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\30\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\30\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\30\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\30\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\30\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\30\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\30\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\30\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\30\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'
13:52:21 (7232): C:/Windows/system32/cmd.exe exited; CPU time 2.062500
13:52:21 (7232): app exit status: 0x16
13:52:21 (7232): 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: 389029 bytes.
Dumping objects ->
{3835231} normal block at 0x000001DA4229D5E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x000001DA405A49A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x000001DA405A4BD0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835198} normal block at 0x000001DA405A4E00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835187} normal block at 0x000001DA405A48C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835156} normal block at 0x000001DA422E9280, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835145} normal block at 0x000001DA422FEEC0, 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) : {3835142} normal block at 0x000001DA4059D170, 8 bytes long.
Data: < ½@Ú > 00 00 BD 40 DA 01 00 00
{3834540} normal block at 0x000001DA422FEC00, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000001DA4059D0D0, 8 bytes long.
Data: <pÕX@Ú > 70 D5 58 40 DA 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001DA40591360, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001DA40591AE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001DA405A59F0, 16 bytes long.
Data: <øeZ@Ú > F8 65 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DA405A6170, 16 bytes long.
Data: <ÐeZ@Ú > D0 65 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DA405A0C00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001DA405A5770, 16 bytes long.
Data: <¨eZ@Ú > A8 65 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DA405A5E00, 16 bytes long.
Data: < eZ@Ú > 80 65 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DA405A5950, 16 bytes long.
Data: <XeZ@Ú > 58 65 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DA405A5540, 16 bytes long.
Data: <0eZ@Ú > 30 65 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DA405A4C40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001DA405A5900, 16 bytes long.
Data: <8äX@Ú > 38 E4 58 40 DA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DA405A1200, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001DA405A54A0, 16 bytes long.
Data: < äX@Ú > 10 E4 58 40 DA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DA405A5450, 16 bytes long.
Data: <èãX@Ú > E8 E3 58 40 DA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DA405A54F0, 16 bytes long.
Data: <ÀãX@Ú > C0 E3 58 40 DA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DA405A56D0, 16 bytes long.
Data: < ãX@Ú > 98 E3 58 40 DA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DA405A5400, 16 bytes long.
Data: <pãX@Ú > 70 E3 58 40 DA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DA405A5DB0, 16 bytes long.
Data: <HãX@Ú > 48 E3 58 40 DA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DA405A1260, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001DA405A5EF0, 16 bytes long.
Data: < ãX@Ú > 20 E3 58 40 DA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DA4058E320, 320 bytes long.
Data: <ð^Z@Ú ` Z@Ú > F0 5E 5A 40 DA 01 00 00 60 12 5A 40 DA 01 00 00
{275} normal block at 0x000001DA405A58B0, 16 bytes long.
Data: < eZ@Ú > 10 65 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DA405A5360, 16 bytes long.
Data: <èdZ@Ú > E8 64 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DA405A0F00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001DA405A5EA0, 16 bytes long.
Data: <ÀdZ@Ú > C0 64 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DA405A10E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001DA405A5810, 16 bytes long.
Data: < dZ@Ú > 08 64 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DA405A5D60, 16 bytes long.
Data: <àcZ@Ú > E0 63 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DA405A5B80, 16 bytes long.
Data: <¸cZ@Ú > B8 63 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DA405A5D10, 16 bytes long.
Data: < cZ@Ú > 90 63 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DA405A5B30, 16 bytes long.
Data: <hcZ@Ú > 68 63 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DA405A6120, 16 bytes long.
Data: <@cZ@Ú > 40 63 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DA405A53B0, 16 bytes long.
Data: <0IZ@Ú > 30 49 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DA405A4930, 40 bytes long.
Data: <°SZ@Ú ’.BÚ > B0 53 5A 40 DA 01 00 00 80 92 2E 42 DA 01 00 00
{261} normal block at 0x000001DA405A5CC0, 16 bytes long.
Data: < cZ@Ú > 20 63 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DA405A57C0, 16 bytes long.
Data: <øbZ@Ú > F8 62 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DA405A1080, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001DA405A5BD0, 16 bytes long.
Data: <ÐbZ@Ú > D0 62 5A 40 DA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001DA405A62D0, 992 bytes long.
Data: <Ð[Z@Ú Z@Ú > D0 5B 5A 40 DA 01 00 00 80 10 5A 40 DA 01 00 00
{93} normal block at 0x000001DA405A0FC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001DA4059D580, 16 bytes long.
Data: <@ìX@Ú > 40 EC 58 40 DA 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001DA4058EC40, 40 bytes long.
Data: < ÕY@Ú À Z@Ú > 80 D5 59 40 DA 01 00 00 C0 0F 5A 40 DA 01 00 00
{70} normal block at 0x000001DA4059D030, 16 bytes long.
Data: < ê³rö > 80 EA B3 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DA4059CFE0, 16 bytes long.
Data: <@é³rö > 40 E9 B3 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DA4059D210, 16 bytes long.
Data: <øW°rö > F8 57 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DA4059DB20, 16 bytes long.
Data: <ØW°rö > D8 57 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DA4059D530, 16 bytes long.
Data: <P °rö > 50 04 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DA4059D2B0, 16 bytes long.
Data: <0 °rö > 30 04 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DA4059D850, 16 bytes long.
Data: <à °rö > E0 02 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DA4059DC60, 16 bytes long.
Data: < °rö > 10 04 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DA4059D760, 16 bytes long.
Data: <p °rö > 70 04 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DA4059DD00, 16 bytes long.
Data: < À®rö > 18 C0 AE 72 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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