Task 38615175
| Name | hif2a_2_A28_A34_r0_5-QUICO_ATM_OpenFF_NAGL_hif2a_2-0-6-RND9890_0 |
| Workunit | 31567477 |
| Created | 17 Apr 2026, 16:47:07 UTC |
| Sent | 17 Apr 2026, 16:48:52 UTC |
| Report deadline | 22 Apr 2026, 16:48:52 UTC |
| Received | 17 Apr 2026, 23:10:57 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 646098 |
| Run time | 2 hours 11 min 59 sec |
| CPU time | 2 hours 3 min 7 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 21,610.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 650.94 MB |
| Peak swap size | 8.11 GB |
| Peak disk usage | 2.86 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>
14:58:54 (3816): wrapper (7.9.26016): starting
14:58:54 (3816): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A34_0.pdb
QB_A28_A34_0.xml
QB_A28_A34.inpcrd
QB_A28_A34_input.yaml
QB_A28_A34.pdb
QB_A28_A34.prmtop
QB_A28_A34_sys.xml
run.bat
run.sh
14:58:55 (3816): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:58:55 (3816): 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 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_ILLEGAL_ADDRESS (700)
17:08:57 (3816): C:/Windows/system32/cmd.exe exited; CPU time 7387.546875
17:08:57 (3816): app exit status: 0x16
17:08:57 (3816): 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: 161374143 bytes.
Dumping objects ->
{3835481} normal block at 0x0000023CA82AB930, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835470} normal block at 0x0000023CA82AB1C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835459} normal block at 0x0000023CA82ABD90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835448} normal block at 0x0000023CA82AB230, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835437} normal block at 0x0000023CA82AB700, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835406} normal block at 0x0000023CA824C440, 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) : {3835393} normal block at 0x0000023CA650D360, 8 bytes long.
Data: < ;¨< > 00 00 3B A8 3C 02 00 00
{3833959} normal block at 0x0000023CA650DC20, 8 bytes long.
Data: <ÐÚO¦< > D0 DA 4F A6 3C 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000023CA64FF8F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000023CA6502100, 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 0x0000023CA6515ED0, 16 bytes long.
Data: <ØeQ¦< > D8 65 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023CA6515AC0, 16 bytes long.
Data: <°eQ¦< > B0 65 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023CA65109A0, 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 0x0000023CA65161A0, 16 bytes long.
Data: < eQ¦< > 88 65 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023CA6515480, 16 bytes long.
Data: <`eQ¦< > 60 65 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023CA6515E80, 16 bytes long.
Data: <8eQ¦< > 38 65 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023CA6516150, 16 bytes long.
Data: < eQ¦< > 10 65 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023CA6513D30, 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 0x0000023CA6515E30, 16 bytes long.
Data: <h P¦< > 68 08 50 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023CA6511360, 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 0x0000023CA6515A70, 16 bytes long.
Data: <@ P¦< > 40 08 50 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023CA6516010, 16 bytes long.
Data: < P¦< > 18 08 50 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023CA6515A20, 16 bytes long.
Data: <ð P¦< > F0 07 50 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023CA6516100, 16 bytes long.
Data: <È P¦< > C8 07 50 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023CA6515C50, 16 bytes long.
Data: <  P¦< > A0 07 50 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023CA6515FC0, 16 bytes long.
Data: <x P¦< > 78 07 50 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023CA65108E0, 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 0x0000023CA65158E0, 16 bytes long.
Data: <P P¦< > 50 07 50 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023CA6500750, 320 bytes long.
Data: <àXQ¦< à Q¦< > E0 58 51 A6 3C 02 00 00 E0 08 51 A6 3C 02 00 00
{275} normal block at 0x0000023CA6515C00, 16 bytes long.
Data: <ðdQ¦< > F0 64 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023CA6515840, 16 bytes long.
Data: <ÈdQ¦< > C8 64 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023CA65115A0, 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 0x0000023CA6515DE0, 16 bytes long.
Data: < dQ¦< > A0 64 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023CA65113C0, 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 0x0000023CA65161F0, 16 bytes long.
Data: <ècQ¦< > E8 63 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023CA65157A0, 16 bytes long.
Data: <ÀcQ¦< > C0 63 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023CA6515F70, 16 bytes long.
Data: < cQ¦< > 98 63 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023CA6515390, 16 bytes long.
Data: <pcQ¦< > 70 63 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023CA6515BB0, 16 bytes long.
Data: <HcQ¦< > 48 63 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023CA6515700, 16 bytes long.
Data: < cQ¦< > 20 63 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023CA6515890, 16 bytes long.
Data: <Ð8Q¦< > D0 38 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023CA65138D0, 40 bytes long.
Data: < XQ¦< @Ä$¨< > 90 58 51 A6 3C 02 00 00 40 C4 24 A8 3C 02 00 00
{261} normal block at 0x0000023CA65157F0, 16 bytes long.
Data: < cQ¦< > 00 63 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023CA6515660, 16 bytes long.
Data: <ØbQ¦< > D8 62 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023CA65112A0, 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 0x0000023CA6515750, 16 bytes long.
Data: <°bQ¦< > B0 62 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000023CA65162B0, 992 bytes long.
Data: <PWQ¦<   Q¦< > 50 57 51 A6 3C 02 00 00 A0 12 51 A6 3C 02 00 00
{93} normal block at 0x0000023CA6511180, 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 0x0000023CA650D810, 16 bytes long.
Data: <À<Q¦< > C0 3C 51 A6 3C 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000023CA6513CC0, 40 bytes long.
Data: < ØP¦< Q¦< > 10 D8 50 A6 3C 02 00 00 80 11 51 A6 3C 02 00 00
{70} normal block at 0x0000023CA650D720, 16 bytes long.
Data: < ê ï÷ > 80 EA 8F EF F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023CA650CF00, 16 bytes long.
Data: <@é ï÷ > 40 E9 8F EF F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023CA650D6D0, 16 bytes long.
Data: <øWŒï÷ > F8 57 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023CA650DA40, 16 bytes long.
Data: <ØWŒï÷ > D8 57 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023CA650D1D0, 16 bytes long.
Data: <P Œï÷ > 50 04 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023CA650D4A0, 16 bytes long.
Data: <0 Œï÷ > 30 04 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023CA650D040, 16 bytes long.
Data: <à Œï÷ > E0 02 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023CA650CFF0, 16 bytes long.
Data: < Œï÷ > 10 04 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023CA650D680, 16 bytes long.
Data: <p Œï÷ > 70 04 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023CA650D090, 16 bytes long.
Data: < ÀŠï÷ > 18 C0 8A EF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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