Task 38617094
| Name | hif2a_A01_A11_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a-4-6-RND3968_0 |
| Workunit | 31568824 |
| Created | 18 Apr 2026, 1:32:40 UTC |
| Sent | 18 Apr 2026, 1:32:59 UTC |
| Report deadline | 23 Apr 2026, 1:32:59 UTC |
| Received | 18 Apr 2026, 8:06:11 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643393 |
| Run time | 32 min 53 sec |
| CPU time | 31 min 11 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,753.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 447.51 MB |
| Peak swap size | 3.55 GB |
| Peak disk usage | 2.88 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:33:03 (5236): wrapper (7.9.26016): starting
09:33:03 (5236): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A01_A11_0.pdb
QB_A01_A11_0.xml
QB_A01_A11.inpcrd
QB_A01_A11_input.yaml
QB_A01_A11.pdb
QB_A01_A11.prmtop
QB_A01_A11_sys.xml
run.bat
run.sh
09:33:04 (5236): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:33:04 (5236): 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)
10:04:52 (5236): C:/Windows/system32/cmd.exe exited; CPU time 1871.859375
10:04:52 (5236): app exit status: 0x16
10:04:52 (5236): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 26634301 bytes.
Dumping objects ->
{3835216} normal block at 0x000001AF7EE4B510, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835205} normal block at 0x000001AF7EE4B200, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x000001AF7EE4AE10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835183} normal block at 0x000001AF7EE4B040, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x000001AF7EE4B270, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835141} normal block at 0x000001AF7EDEB240, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835130} normal block at 0x000001AF7EE88490, 141 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) : {3835127} normal block at 0x000001AF7D296380, 8 bytes long.
Data: < &}¯ > 00 00 26 7D AF 01 00 00
{3834529} normal block at 0x000001AF7EE87BA0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001AF7D2964C0, 8 bytes long.
Data: <@nè~¯ > 40 6E E8 7E AF 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001AF7D2A05A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AF7D2A1620, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001AF7D2A22B0, 16 bytes long.
Data: <¸+*}¯ > B8 2B 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001AF7D2A2580, 16 bytes long.
Data: < +*}¯ > 90 2B 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AF7D299E90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001AF7D2A1C20, 16 bytes long.
Data: <h+*}¯ > 68 2B 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AF7D2A2260, 16 bytes long.
Data: <@+*}¯ > 40 2B 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AF7D2A1900, 16 bytes long.
Data: < +*}¯ > 18 2B 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AF7D2A1F90, 16 bytes long.
Data: <ð**}¯ > F0 2A 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AF7D29B080, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001AF7D2A2530, 16 bytes long.
Data: <¸ *}¯ > B8 15 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AF7D299A10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001AF7D2A2030, 16 bytes long.
Data: < *}¯ > 90 15 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AF7D2A17C0, 16 bytes long.
Data: <h *}¯ > 68 15 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AF7D2A24E0, 16 bytes long.
Data: <@ *}¯ > 40 15 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AF7D2A2670, 16 bytes long.
Data: < *}¯ > 18 15 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001AF7D2A1EF0, 16 bytes long.
Data: <ð *}¯ > F0 14 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001AF7D2A1950, 16 bytes long.
Data: <È *}¯ > C8 14 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AF7D2992F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001AF7D2A1DB0, 16 bytes long.
Data: <  *}¯ > A0 14 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AF7D2A14A0, 320 bytes long.
Data: <° *}¯ ð’)}¯ > B0 1D 2A 7D AF 01 00 00 F0 92 29 7D AF 01 00 00
{269} normal block at 0x000001AF7D2A1B80, 16 bytes long.
Data: <Ð**}¯ > D0 2A 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001AF7D2A2490, 16 bytes long.
Data: <¨**}¯ > A8 2A 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AF7D299950, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001AF7D2A2620, 16 bytes long.
Data: < **}¯ > 80 2A 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001AF7D299890, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001AF7D2A23F0, 16 bytes long.
Data: <È)*}¯ > C8 29 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AF7D2A1B30, 16 bytes long.
Data: < )*}¯ > A0 29 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001AF7D2A19A0, 16 bytes long.
Data: <x)*}¯ > 78 29 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AF7D2A2440, 16 bytes long.
Data: <P)*}¯ > 50 29 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001AF7D2A2210, 16 bytes long.
Data: <()*}¯ > 28 29 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001AF7D2A1770, 16 bytes long.
Data: < )*}¯ > 00 29 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001AF7D2A18B0, 16 bytes long.
Data: < ³)}¯ > 90 B3 29 7D AF 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001AF7D29B390, 40 bytes long.
Data: <° *}¯ @²Þ~¯ > B0 18 2A 7D AF 01 00 00 40 B2 DE 7E AF 01 00 00
{255} normal block at 0x000001AF7D2A21C0, 16 bytes long.
Data: <à(*}¯ > E0 28 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001AF7D2A2080, 16 bytes long.
Data: <¸(*}¯ > B8 28 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001AF7D2994D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001AF7D2A1D60, 16 bytes long.
Data: < (*}¯ > 90 28 2A 7D AF 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001AF7D2A2890, 992 bytes long.
Data: <` *}¯ Д)}¯ > 60 1D 2A 7D AF 01 00 00 D0 94 29 7D AF 01 00 00
{87} normal block at 0x000001AF7D299EF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001AF7D296420, 16 bytes long.
Data: <Pµ)}¯ > 50 B5 29 7D AF 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001AF7D29B550, 40 bytes long.
Data: < d)}¯ ðž)}¯ > 20 64 29 7D AF 01 00 00 F0 9E 29 7D AF 01 00 00
{64} normal block at 0x000001AF7D2970A0, 16 bytes long.
Data: < êÚ ÷ > 80 EA DA A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AF7D296BA0, 16 bytes long.
Data: <@éÚ ÷ > 40 E9 DA A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001AF7D2971E0, 16 bytes long.
Data: <øW× ÷ > F8 57 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001AF7D296AB0, 16 bytes long.
Data: <ØW× ÷ > D8 57 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001AF7D297050, 16 bytes long.
Data: <P × ÷ > 50 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001AF7D2966F0, 16 bytes long.
Data: <0 × ÷ > 30 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001AF7D2965B0, 16 bytes long.
Data: <à × ÷ > E0 02 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001AF7D297000, 16 bytes long.
Data: < × ÷ > 10 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001AF7D296D80, 16 bytes long.
Data: <p × ÷ > 70 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001AF7D296330, 16 bytes long.
Data: < ÀÕ ÷ > 18 C0 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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