Task 38609060
| Name | p38_A27_A09_r0_4-QUICO_ATM_OpenFF_p38-1-6-RND1583_1 |
| Workunit | 31562000 |
| Created | 14 Apr 2026, 20:41:53 UTC |
| Sent | 14 Apr 2026, 20:42:01 UTC |
| Report deadline | 19 Apr 2026, 20:42:01 UTC |
| Received | 15 Apr 2026, 0:57:29 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 618180 |
| Run time | 1 hours 13 min 52 sec |
| CPU time | 1 hours 13 min 6 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,333.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 665.36 MB |
| Peak swap size | 12.86 GB |
| Peak disk usage | 3.04 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>
18:42:54 (37812): wrapper (7.9.26016): starting
18:42:54 (37812): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A09_0.pdb
QB_A27_A09_0.xml
QB_A27_A09.inpcrd
QB_A27_A09_input.yaml
QB_A27_A09.pdb
QB_A27_A09.prmtop
QB_A27_A09_sys.xml
run.bat
run.sh
18:42:55 (37812): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:42:55 (37812): 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: bad allocation
19:55:42 (37812): C:/Windows/system32/cmd.exe exited; CPU time 4386.640625
19:55:42 (37812): app exit status: 0x16
19:55:42 (37812): 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: 79213277 bytes.
Dumping objects ->
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Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835230} normal block at 0x0000028FB086C340, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x0000028FB086C260, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835208} normal block at 0x0000028FB086C3B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x0000028FB086C8F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835166} normal block at 0x0000028FB2731CF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835155} normal block at 0x0000028FB263FB90, 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) : {3835152} normal block at 0x0000028FB083E220, 8 bytes long.
Data: < ,² > 00 00 2C B2 8F 02 00 00
{3834554} normal block at 0x0000028FB26408A0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x0000028FB083F030, 8 bytes long.
Data: <ðÙ{° > F0 D9 7B B0 8F 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000028FB0844FD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000028FB07C25A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000028FB0844880, 16 bytes long.
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{299} normal block at 0x0000028FB0844C40, 16 bytes long.
Data: <Ð;„° > D0 3B 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000028FB083D0A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000028FB0844B00, 16 bytes long.
Data: <¨;„° > A8 3B 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000028FB0843E30, 16 bytes long.
Data: < ;„° > 80 3B 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000028FB0844970, 16 bytes long.
Data: <X;„° > 58 3B 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028FB0844830, 16 bytes long.
Data: <0;„° > 30 3B 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028FB0842100, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000028FB08445B0, 16 bytes long.
Data: <Ø4„° > D8 34 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028FB083D220, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000028FB08443D0, 16 bytes long.
Data: <°4„° > B0 34 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028FB0843F70, 16 bytes long.
Data: < 4„° > 88 34 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000028FB0844650, 16 bytes long.
Data: <`4„° > 60 34 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028FB08447E0, 16 bytes long.
Data: <84„° > 38 34 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000028FB0843DE0, 16 bytes long.
Data: < 4„° > 10 34 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000028FB0844330, 16 bytes long.
Data: <è3„° > E8 33 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028FB083D940, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000028FB0844AB0, 16 bytes long.
Data: <À3„° > C0 33 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028FB08433C0, 320 bytes long.
Data: <°J„° @Ùƒ° > B0 4A 84 B0 8F 02 00 00 40 D9 83 B0 8F 02 00 00
{280} normal block at 0x0000028FB0844060, 16 bytes long.
Data: < ;„° > 10 3B 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028FB08442E0, 16 bytes long.
Data: <è:„° > E8 3A 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028FB083DBE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000028FB0844290, 16 bytes long.
Data: <À:„° > C0 3A 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028FB083D340, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000028FB08441F0, 16 bytes long.
Data: < :„° > 08 3A 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028FB0844240, 16 bytes long.
Data: <à9„° > E0 39 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028FB0844790, 16 bytes long.
Data: <¸9„° > B8 39 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028FB083E630, 16 bytes long.
Data: < 9„° > 90 39 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028FB083E5E0, 16 bytes long.
Data: <h9„° > 68 39 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000028FB083E590, 16 bytes long.
Data: <@9„° > 40 39 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000028FB083E400, 16 bytes long.
Data: <Ð „° > D0 1E 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028FB0841ED0, 40 bytes long.
Data: < 䃰 ð s² > 00 E4 83 B0 8F 02 00 00 F0 1C 73 B2 8F 02 00 00
{266} normal block at 0x0000028FB083EA90, 16 bytes long.
Data: < 9„° > 20 39 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028FB083E950, 16 bytes long.
Data: <ø8„° > F8 38 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000028FB083CF20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000028FB083E3B0, 16 bytes long.
Data: <Ð8„° > D0 38 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000028FB08438D0, 992 bytes long.
Data: <°ãƒ° σ° > B0 E3 83 B0 8F 02 00 00 20 CF 83 B0 8F 02 00 00
{98} normal block at 0x0000028FB083CFE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000028FB083ED60, 16 bytes long.
Data: <À"„° > C0 22 84 B0 8F 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000028FB08422C0, 40 bytes long.
Data: <`탰 àσ° > 60 ED 83 B0 8F 02 00 00 E0 CF 83 B0 8F 02 00 00
{75} normal block at 0x0000028FB083F080, 16 bytes long.
Data: < êúïö > 80 EA FA EF F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000028FB083F0D0, 16 bytes long.
Data: <@éúïö > 40 E9 FA EF F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000028FB083EFE0, 16 bytes long.
Data: <øW÷ïö > F8 57 F7 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000028FB083E6D0, 16 bytes long.
Data: <ØW÷ïö > D8 57 F7 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000028FB083EE00, 16 bytes long.
Data: <P ÷ïö > 50 04 F7 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000028FB083EEF0, 16 bytes long.
Data: <0 ÷ïö > 30 04 F7 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000028FB083EF90, 16 bytes long.
Data: <à ÷ïö > E0 02 F7 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000028FB083E310, 16 bytes long.
Data: < ÷ïö > 10 04 F7 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028FB083E9A0, 16 bytes long.
Data: <p ÷ïö > 70 04 F7 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000028FB083E180, 16 bytes long.
Data: < Àõïö > 18 C0 F5 EF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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