Task 38613376

Name CDK2_A03_A16_r0_3-QUICO_ATM_OpenFF_CDK2-3-6-RND0243_0
Workunit 31565868
Created 16 Apr 2026, 19:18:52 UTC
Sent 16 Apr 2026, 19:18:53 UTC
Report deadline 21 Apr 2026, 19:18:53 UTC
Received 18 Apr 2026, 8:22:42 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 631182
Run time 3 hours 8 min 27 sec
CPU time 3 hours 8 min 27 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,333.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 797.28 MB
Peak swap size 5.57 GB
Peak disk usage 3.16 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>
07:19:59 (6072): wrapper (7.9.26016): starting
07:19:59 (6072): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A16_0.pdb
QB_A03_A16_0.xml
QB_A03_A16.inpcrd
QB_A03_A16_input.yaml
QB_A03_A16.pdb
QB_A03_A16.prmtop
QB_A03_A16_sys.xml
run.bat
run.sh
07:20:00 (6072): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:20:00 (6072): 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.
15:55:42 (24620): wrapper (7.9.26016): starting
15:55:42 (24620): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
16:24:33 (23468): wrapper (7.9.26016): starting
16:24:33 (23468): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
16:43:11 (23468): C:/Windows/system32/cmd.exe exited; CPU time 1113.296875
16:43:11 (23468): app exit status: 0x16
16:43:11 (23468): called boinc_finish(195)
07:13:44 (25508): wrapper (7.9.26016): starting
07:13:44 (25508): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
09:23:59 (25508): C:/Windows/system32/cmd.exe exited; CPU time 7852.375000
09:23:59 (25508): app exit status: 0x16
09:23:59 (25508): called boinc_finish(195)
11:07:06 (27040): wrapper (7.9.26016): starting
11:07:06 (27040): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
16:05:19 (26028): wrapper (7.9.26016): starting
16:05:19 (26028): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
18:11:49 (25700): wrapper (7.9.26016): starting
18:11:49 (25700): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
19:14:05 (27128): wrapper (7.9.26016): starting
19:14:05 (27128): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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_UNKNOWN (999)
20:21:08 (27128): C:/Windows/system32/cmd.exe exited; CPU time 4017.281250
20:21:08 (27128): app exit status: 0x16
20:21:08 (27128): 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: 70250558 bytes.
Dumping objects ->
{1931} normal block at 0x0000020D88190960, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1920} normal block at 0x0000020D88190570, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1909} normal block at 0x0000020D88190880, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1898} normal block at 0x0000020D88190340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1887} normal block at 0x0000020D881902D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1856} normal block at 0x0000020D88190A20, 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) : {1843} normal block at 0x0000020D88195EF0, 8 bytes long.
 Data: <  X     > 00 00 58 88 0D 02 00 00 
{306} normal block at 0x0000020D88195680, 8 bytes long.
 Data: <0h      > 30 68 19 88 0D 02 00 00 
{297} normal block at 0x0000020D88181D50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000020D881954F0, 16 bytes long.
 Data: <8g              > 38 67 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020D88195A40, 16 bytes long.
 Data: < g              > 10 67 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020D881916F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000020D881954A0, 16 bytes long.
 Data: < f              > E8 66 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020D88196170, 16 bytes long.
 Data: < f              > C0 66 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020D88195450, 16 bytes long.
 Data: < f              > 98 66 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020D88196300, 16 bytes long.
 Data: <pf              > 70 66 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020D88190810, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000020D88195630, 16 bytes long.
 Data: <8*              > 38 2A 18 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020D88191750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000020D881959A0, 16 bytes long.
 Data: < *              > 10 2A 18 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020D881955E0, 16 bytes long.
 Data: < )              > E8 29 18 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020D88196350, 16 bytes long.
 Data: < )              > C0 29 18 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020D881958B0, 16 bytes long.
 Data: < )              > 98 29 18 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020D88196120, 16 bytes long.
 Data: <p)              > 70 29 18 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020D881963A0, 16 bytes long.
 Data: <H)              > 48 29 18 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020D88190B50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000020D881962B0, 16 bytes long.
 Data: < )              > 20 29 18 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020D88182920, 320 bytes long.
 Data: < b      P       > B0 62 19 88 0D 02 00 00 50 0B 19 88 0D 02 00 00 
{276} normal block at 0x0000020D88196260, 16 bytes long.
 Data: <Pf              > 50 66 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020D88195E00, 16 bytes long.
 Data: <(f              > 28 66 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020D88190EB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000020D88195D10, 16 bytes long.
 Data: < f              > 00 66 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020D88190AF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000020D88195590, 16 bytes long.
 Data: <He              > 48 65 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020D88196210, 16 bytes long.
 Data: < e              > 20 65 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020D881961C0, 16 bytes long.
 Data: < d              > F8 64 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020D88196080, 16 bytes long.
 Data: < d              > D0 64 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020D88195EA0, 16 bytes long.
 Data: < d              > A8 64 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020D881957C0, 16 bytes long.
 Data: < d              > 80 64 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020D88195770, 16 bytes long.
 Data: <                > C0 06 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020D881906C0, 40 bytes long.
 Data: <pW              > 70 57 19 88 0D 02 00 00 20 0A 19 88 0D 02 00 00 
{262} normal block at 0x0000020D88195540, 16 bytes long.
 Data: <`d              > 60 64 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020D881959F0, 16 bytes long.
 Data: <8d              > 38 64 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020D881913F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000020D88196030, 16 bytes long.
 Data: < d              > 10 64 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020D88196410, 992 bytes long.
 Data: <0`              > 30 60 19 88 0D 02 00 00 F0 13 19 88 0D 02 00 00 
{94} normal block at 0x0000020D88191090, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000020D8818DEA0, 16 bytes long.
 Data: <0               > 30 07 19 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020D88190730, 40 bytes long.
 Data: <                > A0 DE 18 88 0D 02 00 00 90 10 19 88 0D 02 00 00 
{71} normal block at 0x0000020D8818D680, 16 bytes long.
 Data: <  5-            > 80 EA 35 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020D8818D4F0, 16 bytes long.
 Data: <@ 5-            > 40 E9 35 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020D8818D3B0, 16 bytes long.
 Data: < W2-            > F8 57 32 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020D8818D540, 16 bytes long.
 Data: < W2-            > D8 57 32 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020D8818D630, 16 bytes long.
 Data: <P 2-            > 50 04 32 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020D8818D220, 16 bytes long.
 Data: <0 2-            > 30 04 32 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020D8818D1D0, 16 bytes long.
 Data: <  2-            > E0 02 32 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020D8818D9F0, 16 bytes long.
 Data: <  2-            > 10 04 32 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020D8818DC20, 16 bytes long.
 Data: <p 2-            > 70 04 32 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020D8818D5E0, 16 bytes long.
 Data: <  0-            > 18 C0 30 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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