Task 38583986
| Name | HIF2A_A02_A43_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND2987_6 |
| Workunit | 31545827 |
| Created | 15 Dec 2025, 3:16:32 UTC |
| Sent | 15 Dec 2025, 3:16:36 UTC |
| Report deadline | 20 Dec 2025, 3:16:36 UTC |
| Received | 15 Dec 2025, 3:22:44 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 638713 |
| Run time | 59 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 10,338.69 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 10.88 MB |
| Peak swap size | 5.41 MB |
| Peak disk usage | 1.42 GB |
Stderr output
<core_client_version>7.16.11</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
14:21:24 (9532): wrapper (7.9.26016): starting
14:21:24 (9532): 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
14:21:25 (9532): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:21:25 (9532): 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'
14:21:34 (9532): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
14:21:34 (9532): app exit status: 0x16
14:21:34 (9532): 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: 270007 bytes.
Dumping objects ->
{3835301} normal block at 0x000001D61DB31020, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835290} normal block at 0x000001D61DB315D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835279} normal block at 0x000001D61DB30840, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835268} normal block at 0x000001D61DB30FB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835257} normal block at 0x000001D61DB307D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835226} normal block at 0x000001D61DBDFBB0, 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) : {3835213} normal block at 0x000001D61BEFDCB0, 8 bytes long.
Data: < Ô Ö > 00 00 D4 1D D6 01 00 00
{3833957} normal block at 0x000001D61BEFE480, 8 bytes long.
Data: <Ð ¶ Ö > D0 10 B6 1D D6 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D61BEF27E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D61BEEF360, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001D61BF067B0, 16 bytes long.
Data: <èuð Ö > E8 75 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D61BF06D00, 16 bytes long.
Data: <Àuð Ö > C0 75 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D61BF00BA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001D61BF06760, 16 bytes long.
Data: < uð Ö > 98 75 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D61BF06670, 16 bytes long.
Data: <puð Ö > 70 75 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D61BF06440, 16 bytes long.
Data: <Huð Ö > 48 75 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D61BF06990, 16 bytes long.
Data: < uð Ö > 20 75 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D61BF02730, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001D61BF06E90, 16 bytes long.
Data: <Èûî Ö > C8 FB EE 1B D6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D61BF011A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001D61BF06580, 16 bytes long.
Data: < ûî Ö > A0 FB EE 1B D6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D61BF07200, 16 bytes long.
Data: <xûî Ö > 78 FB EE 1B D6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D61BF071B0, 16 bytes long.
Data: <Pûî Ö > 50 FB EE 1B D6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D61BF06A30, 16 bytes long.
Data: <(ûî Ö > 28 FB EE 1B D6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D61BF06710, 16 bytes long.
Data: < ûî Ö > 00 FB EE 1B D6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D61BF06300, 16 bytes long.
Data: <Øúî Ö > D8 FA EE 1B D6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D61BF00840, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001D61BF06CB0, 16 bytes long.
Data: <°úî Ö > B0 FA EE 1B D6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D61BEEFAB0, 320 bytes long.
Data: <°lð Ö @ ð Ö > B0 6C F0 1B D6 01 00 00 40 08 F0 1B D6 01 00 00
{274} normal block at 0x000001D61BF063A0, 16 bytes long.
Data: < uð Ö > 00 75 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D61BF06DA0, 16 bytes long.
Data: <Øtð Ö > D8 74 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D61BF006C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001D61BF06C60, 16 bytes long.
Data: <°tð Ö > B0 74 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D61BF005A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001D61BF06B70, 16 bytes long.
Data: <øsð Ö > F8 73 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D61BF06B20, 16 bytes long.
Data: <Ðsð Ö > D0 73 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D61BF066C0, 16 bytes long.
Data: <¨sð Ö > A8 73 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D61BF06BC0, 16 bytes long.
Data: < sð Ö > 80 73 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D61BF07160, 16 bytes long.
Data: <Xsð Ö > 58 73 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D61BF06E40, 16 bytes long.
Data: <0sð Ö > 30 73 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D61BF07070, 16 bytes long.
Data: <`)ð Ö > 60 29 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D61BF02960, 40 bytes long.
Data: <ppð Ö °û½ Ö > 70 70 F0 1B D6 01 00 00 B0 FB BD 1D D6 01 00 00
{260} normal block at 0x000001D61BF07110, 16 bytes long.
Data: < sð Ö > 10 73 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D61BF06940, 16 bytes long.
Data: <èrð Ö > E8 72 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D61BF01140, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001D61BF069E0, 16 bytes long.
Data: <Àrð Ö > C0 72 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D61BF072C0, 992 bytes long.
Data: <àið Ö @ ð Ö > E0 69 F0 1B D6 01 00 00 40 11 F0 1B D6 01 00 00
{92} normal block at 0x000001D61BF00720, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001D61BEFDE90, 16 bytes long.
Data: <À&ð Ö > C0 26 F0 1B D6 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001D61BF026C0, 40 bytes long.
Data: < Þï Ö ð Ö > 90 DE EF 1B D6 01 00 00 20 07 F0 1B D6 01 00 00
{69} normal block at 0x000001D61BEFE200, 16 bytes long.
Data: < êŒ ö > 80 EA 8C 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D61BEFE610, 16 bytes long.
Data: <@éŒ ö > 40 E9 8C 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D61BEFE8E0, 16 bytes long.
Data: <øW‰ ö > F8 57 89 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D61BEFDC60, 16 bytes long.
Data: <ØW‰ ö > D8 57 89 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D61BEFE340, 16 bytes long.
Data: <P ‰ ö > 50 04 89 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D61BEFDC10, 16 bytes long.
Data: <0 ‰ ö > 30 04 89 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D61BEFDBC0, 16 bytes long.
Data: <à ‰ ö > E0 02 89 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D61BEFDE40, 16 bytes long.
Data: < ‰ ö > 10 04 89 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D61BEFE2F0, 16 bytes long.
Data: <p ‰ ö > 70 04 89 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D61BEFE430, 16 bytes long.
Data: < À‡ ö > 18 C0 87 0C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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