Task 38607351
| Name | CDK2_A09_A10_r0_1-QUICO_ATM_GAFF2_NAGL_CDK2-0-6-RND5532_2 |
| Workunit | 31560779 |
| Created | 14 Apr 2026, 9:32:35 UTC |
| Sent | 14 Apr 2026, 9:32:45 UTC |
| Report deadline | 19 Apr 2026, 9:32:45 UTC |
| Received | 14 Apr 2026, 15:43:45 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 611060 |
| Run time | 35 min 42 sec |
| CPU time | 33 min 52 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 82,583.61 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.39 MB |
| Peak swap size | 13.22 GB |
| Peak disk usage | 2.81 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
08:07:01 (48872): wrapper (7.9.26016): starting
08:07:01 (48872): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A10_0.pdb
QB_A09_A10_0.xml
QB_A09_A10.inpcrd
QB_A09_A10_input.yaml
QB_A09_A10.pdb
QB_A09_A10.prmtop
QB_A09_A10_sys.xml
run.bat
run.sh
08:07:03 (48872): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:07:03 (48872): 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 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 333, in scheduleJobs
self._sync_checkpointing(checkpoint_frequency, current_samples, new_samples)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 369, in _sync_checkpointing
self.openmm_replicas[i].save_checkpoint()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 90, in save_checkpoint
self.worker.simulation.saveState(ckptfile)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 345, in saveState
f.write(xml)
File "C:\ProgramData\BOINC\slots\0\Lib\encodings\cp1252.py", line 19, in encode
return codecs.charmap_encode(input,self.errors,encoding_table)[0]
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
UnicodeEncodeError: 'charmap' codec can't encode characters in position 1848001-1848004: character maps to <undefined>
08:42:00 (48872): C:/Windows/system32/cmd.exe exited; CPU time 2032.046875
08:42:00 (48872): app exit status: 0x16
08:42:00 (48872): 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: 40661287 bytes.
Dumping objects ->
{3835506} normal block at 0x000001FBCE646500, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835495} normal block at 0x000001FBCE646490, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835484} normal block at 0x000001FBCE646420, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835473} normal block at 0x000001FBCE646570, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835462} normal block at 0x000001FBCE6463B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835431} normal block at 0x000001FBD047A6B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835420} normal block at 0x000001FBD048E2D0, 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) : {3835417} normal block at 0x000001FBCE63DF20, 8 bytes long.
Data: < aÎû > 00 00 61 CE FB 01 00 00
{3834676} normal block at 0x000001FBD048E900, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001FBCE63DC00, 8 bytes long.
Data: <`×bÎû > 60 D7 62 CE FB 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001FBCE6308A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FBCE631AF0, 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 0x000001FBCE645240, 16 bytes long.
Data: <È_dÎû > C8 5F 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FBCE645010, 16 bytes long.
Data: < _dÎû > A0 5F 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FBCE6411A0, 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 0x000001FBCE644ED0, 16 bytes long.
Data: <x_dÎû > 78 5F 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FBCE644FC0, 16 bytes long.
Data: <P_dÎû > 50 5F 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FBCE644BB0, 16 bytes long.
Data: <(_dÎû > 28 5F 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FBCE6449D0, 16 bytes long.
Data: < _dÎû > 00 5F 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FBCE6467A0, 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 0x000001FBCE644980, 16 bytes long.
Data: <è dÎû > E8 08 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FBCE641140, 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 0x000001FBCE6450B0, 16 bytes long.
Data: <À dÎû > C0 08 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FBCE645790, 16 bytes long.
Data: < dÎû > 98 08 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FBCE645560, 16 bytes long.
Data: <p dÎû > 70 08 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FBCE644B10, 16 bytes long.
Data: <H dÎû > 48 08 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FBCE644E80, 16 bytes long.
Data: < dÎû > 20 08 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FBCE645100, 16 bytes long.
Data: <ø dÎû > F8 07 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FBCE640F00, 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 0x000001FBCE645510, 16 bytes long.
Data: <Ð dÎû > D0 07 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FBCE6407D0, 320 bytes long.
Data: < UdÎû dÎû > 10 55 64 CE FB 01 00 00 00 0F 64 CE FB 01 00 00
{274} normal block at 0x000001FBCE644930, 16 bytes long.
Data: <à^dÎû > E0 5E 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FBCE6456F0, 16 bytes long.
Data: <¸^dÎû > B8 5E 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FBCE640C60, 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 0x000001FBCE645470, 16 bytes long.
Data: < ^dÎû > 90 5E 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FBCE640DE0, 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 0x000001FBCE6451F0, 16 bytes long.
Data: <Ø]dÎû > D8 5D 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FBCE644AC0, 16 bytes long.
Data: <°]dÎû > B0 5D 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FBCE645600, 16 bytes long.
Data: < ]dÎû > 88 5D 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FBCE644E30, 16 bytes long.
Data: <`]dÎû > 60 5D 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FBCE644D40, 16 bytes long.
Data: <8]dÎû > 38 5D 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FBCE644CF0, 16 bytes long.
Data: < ]dÎû > 10 5D 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FBCE6451A0, 16 bytes long.
Data: < ÁbÎû > 00 C1 62 CE FB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FBCE62C100, 40 bytes long.
Data: < QdÎû °¦GÐû > A0 51 64 CE FB 01 00 00 B0 A6 47 D0 FB 01 00 00
{260} normal block at 0x000001FBCE6454C0, 16 bytes long.
Data: <ð\dÎû > F0 5C 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FBCE644A70, 16 bytes long.
Data: <È\dÎû > C8 5C 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FBCE6409C0, 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 0x000001FBCE644DE0, 16 bytes long.
Data: < \dÎû > A0 5C 64 CE FB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FBCE645CA0, 992 bytes long.
Data: <àMdÎû À dÎû > E0 4D 64 CE FB 01 00 00 C0 09 64 CE FB 01 00 00
{92} normal block at 0x000001FBCE640FC0, 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 0x000001FBCE63D3E0, 16 bytes long.
Data: <ðãbÎû > F0 E3 62 CE FB 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001FBCE62E3F0, 40 bytes long.
Data: <àÓcÎû À dÎû > E0 D3 63 CE FB 01 00 00 C0 0F 64 CE FB 01 00 00
{69} normal block at 0x000001FBCE63D570, 16 bytes long.
Data: < ê¤}ö > 80 EA A4 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FBCE63D110, 16 bytes long.
Data: <@é¤}ö > 40 E9 A4 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FBCE63DD90, 16 bytes long.
Data: <øW¡}ö > F8 57 A1 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FBCE63D890, 16 bytes long.
Data: <ØW¡}ö > D8 57 A1 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FBCE63DA20, 16 bytes long.
Data: <P ¡}ö > 50 04 A1 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FBCE63D840, 16 bytes long.
Data: <0 ¡}ö > 30 04 A1 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FBCE63D980, 16 bytes long.
Data: <à ¡}ö > E0 02 A1 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FBCE63D480, 16 bytes long.
Data: < ¡}ö > 10 04 A1 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FBCE63DC50, 16 bytes long.
Data: <p ¡}ö > 70 04 A1 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FBCE63DFC0, 16 bytes long.
Data: < ÀŸ}ö > 18 C0 9F 7D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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