Task 38630147
| Name | MCL1_RE_A40_A11_r0_4-QUICO_ATM_OpenFF23_NAGL_MCL1_RE-2-6-RND2557_0 |
| Workunit | 31579484 |
| Created | 25 Apr 2026, 10:48:25 UTC |
| Sent | 25 Apr 2026, 10:48:36 UTC |
| Report deadline | 30 Apr 2026, 10:48:36 UTC |
| Received | 25 Apr 2026, 11:49:37 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 646098 |
| Run time | 25 min 49 sec |
| CPU time | 22 min 42 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 | 669.83 MB |
| Peak swap size | 8.11 GB |
| Peak disk usage | 2.89 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>
05:23:08 (71928): wrapper (7.9.26016): starting
05:23:08 (71928): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A40_A11_0.pdb
QB_A40_A11_0.xml
QB_A40_A11.inpcrd
QB_A40_A11_input.yaml
QB_A40_A11.pdb
QB_A40_A11.prmtop
QB_A40_A11_sys.xml
run.bat
run.sh
05:23:09 (71928): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:23:09 (71928): 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)
05:47:35 (71928): C:/Windows/system32/cmd.exe exited; CPU time 1362.687500
05:47:35 (71928): app exit status: 0x16
05:47:35 (71928): 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: 35890259 bytes.
Dumping objects ->
{3835481} normal block at 0x0000025A03D19830, 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 0x0000025A03D19520, 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 0x0000025A03D1A390, 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 0x0000025A03D19E50, 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 0x0000025A03D1A400, 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 0x0000025A03CBC140, 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 0x0000025A01F1DB50, 8 bytes long.
Data: < T Z > 00 00 54 02 5A 02 00 00
{3833959} normal block at 0x0000025A01F1D560, 8 bytes long.
Data: <ÐÚð Z > D0 DA F0 01 5A 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000025A01F10C80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000025A01F11BD0, 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 0x0000025A01F25590, 16 bytes long.
Data: < gò Z > 88 67 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025A01F25540, 16 bytes long.
Data: <`gò Z > 60 67 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025A01F210F0, 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 0x0000025A01F254A0, 16 bytes long.
Data: <8gò Z > 38 67 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025A01F25BD0, 16 bytes long.
Data: < gò Z > 10 67 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025A01F25B30, 16 bytes long.
Data: <èfò Z > E8 66 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025A01F263A0, 16 bytes long.
Data: <Àfò Z > C0 66 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025A01F20710, 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 0x0000025A01F25A40, 16 bytes long.
Data: <Hýð Z > 48 FD F0 01 5A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025A01F21330, 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 0x0000025A01F25A90, 16 bytes long.
Data: < ýð Z > 20 FD F0 01 5A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025A01F25DB0, 16 bytes long.
Data: <øüð Z > F8 FC F0 01 5A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025A01F25F40, 16 bytes long.
Data: <Ðüð Z > D0 FC F0 01 5A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025A01F25630, 16 bytes long.
Data: <¨üð Z > A8 FC F0 01 5A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025A01F259A0, 16 bytes long.
Data: < üð Z > 80 FC F0 01 5A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025A01F25CC0, 16 bytes long.
Data: <Xüð Z > 58 FC F0 01 5A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025A01F21930, 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 0x0000025A01F25AE0, 16 bytes long.
Data: <0üð Z > 30 FC F0 01 5A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025A01F0FC30, 320 bytes long.
Data: <àZò Z 0 ò Z > E0 5A F2 01 5A 02 00 00 30 19 F2 01 5A 02 00 00
{275} normal block at 0x0000025A01F263F0, 16 bytes long.
Data: < fò Z > A0 66 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025A01F26350, 16 bytes long.
Data: <xfò Z > 78 66 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025A01F20E50, 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 0x0000025A01F26300, 16 bytes long.
Data: <Pfò Z > 50 66 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025A01F20C10, 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 0x0000025A01F25EF0, 16 bytes long.
Data: < eò Z > 98 65 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025A01F25680, 16 bytes long.
Data: <peò Z > 70 65 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025A01F262B0, 16 bytes long.
Data: <Heò Z > 48 65 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025A01F256D0, 16 bytes long.
Data: < eò Z > 20 65 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025A01F257C0, 16 bytes long.
Data: <ødò Z > F8 64 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025A01F254F0, 16 bytes long.
Data: <Ðdò Z > D0 64 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025A01F25770, 16 bytes long.
Data: <0 ò Z > 30 06 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025A01F20630, 40 bytes long.
Data: <pWò Z @ÁË Z > 70 57 F2 01 5A 02 00 00 40 C1 CB 03 5A 02 00 00
{261} normal block at 0x0000025A01F26170, 16 bytes long.
Data: <°dò Z > B0 64 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025A01F25D60, 16 bytes long.
Data: < dò Z > 88 64 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000025A01F20D90, 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 0x0000025A01F25C70, 16 bytes long.
Data: <`dò Z > 60 64 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000025A01F26460, 992 bytes long.
Data: <p\ò Z ò Z > 70 5C F2 01 5A 02 00 00 90 0D F2 01 5A 02 00 00
{93} normal block at 0x0000025A01F20B50, 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 0x0000025A01F1DBF0, 16 bytes long.
Data: <à ò Z > E0 04 F2 01 5A 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000025A01F204E0, 40 bytes long.
Data: <ðÛñ Z P ò Z > F0 DB F1 01 5A 02 00 00 50 0B F2 01 5A 02 00 00
{70} normal block at 0x0000025A01F1D5B0, 16 bytes long.
Data: < ê—Œö > 80 EA 97 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025A01F1D880, 16 bytes long.
Data: <@é—Œö > 40 E9 97 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025A01F1DFB0, 16 bytes long.
Data: <øW”Œö > F8 57 94 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025A01F1D6A0, 16 bytes long.
Data: <ØW”Œö > D8 57 94 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025A01F1D600, 16 bytes long.
Data: <P ”Œö > 50 04 94 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025A01F1D7E0, 16 bytes long.
Data: <0 ”Œö > 30 04 94 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025A01F1DC40, 16 bytes long.
Data: <à ”Œö > E0 02 94 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025A01F1D240, 16 bytes long.
Data: < ”Œö > 10 04 94 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025A01F1D380, 16 bytes long.
Data: <p ”Œö > 70 04 94 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025A01F1D790, 16 bytes long.
Data: < À’Œö > 18 C0 92 8C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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