Task 38645015
| Name | cdk8_A04_A26_r0_2-QUICO_ATM_OpenFF23_NAGL_cdk8-5-6-RND8609_1 |
| Workunit | 31589255 |
| Created | 11 May 2026, 16:24:29 UTC |
| Sent | 11 May 2026, 16:24:33 UTC |
| Report deadline | 16 May 2026, 16:24:33 UTC |
| Received | 11 May 2026, 22:08:18 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 628418 |
| Run time | 5 hours 43 min 45 sec |
| CPU time | 5 hours 48 min 39 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 9,336.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 857.78 MB |
| Peak swap size | 10.20 GB |
| Peak disk usage | 4.23 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:28:23 (2232): wrapper (7.9.26016): starting
17:28:23 (2232): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A26_0.pdb
QB_A04_A26_0.xml
QB_A04_A26.inpcrd
QB_A04_A26_input.yaml
QB_A04_A26.pdb
QB_A04_A26.prmtop
QB_A04_A26_sys.xml
run.bat
run.sh
17:28:25 (2232): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:28:25 (2232): 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 'D:\BOINC_DATA\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 'D:\BOINC_DATA\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 "D:\BOINC_DATA\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\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
23:07:17 (2232): C:/Windows/system32/cmd.exe exited; CPU time 20919.125000
23:07:17 (2232): app exit status: 0x16
23:07:17 (2232): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 375940333 bytes.
Dumping objects ->
{3835247} normal block at 0x0000017E96AD1410, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835236} normal block at 0x0000017E96C158C0, 32 bytes long.
Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835225} normal block at 0x0000017E96C15860, 32 bytes long.
Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54
{3835214} normal block at 0x0000017E96C15500, 32 bytes long.
Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835203} normal block at 0x0000017E96C15680, 32 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{3835172} normal block at 0x0000017E96AD1640, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835161} normal block at 0x0000017E96B00A70, 180 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) : {3835158} normal block at 0x0000017E94E27760, 8 bytes long.
Data: < Ü”~ > 00 00 DC 94 7E 01 00 00
{3834561} normal block at 0x0000017E96B00200, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x0000017E94E27800, 8 bytes long.
Data: < ÂÁ–~ > 10 C2 C1 96 7E 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000017E94E31F80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000017E94E1AFE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000017E94E33970, 16 bytes long.
Data: <¸Aã”~ > B8 41 E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000017E94E33E20, 16 bytes long.
Data: < Aã”~ > 90 41 E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000017E94E2B7B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000017E94E33D30, 16 bytes long.
Data: <hAã”~ > 68 41 E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000017E94E33740, 16 bytes long.
Data: <@Aã”~ > 40 41 E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000017E94E336F0, 16 bytes long.
Data: < Aã”~ > 18 41 E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000017E94E33C90, 16 bytes long.
Data: <ð@ã”~ > F0 40 E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000017E94E2D920, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000017E94E33560, 16 bytes long.
Data: < Óâ”~ > 98 D3 E2 94 7E 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000017E94E2C590, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000017E94E33B00, 16 bytes long.
Data: <pÓâ”~ > 70 D3 E2 94 7E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000017E94E33510, 16 bytes long.
Data: <HÓâ”~ > 48 D3 E2 94 7E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000017E94E33330, 16 bytes long.
Data: < Óâ”~ > 20 D3 E2 94 7E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017E94E33420, 16 bytes long.
Data: <øÒâ”~ > F8 D2 E2 94 7E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017E94E33BF0, 16 bytes long.
Data: <ÐÒâ”~ > D0 D2 E2 94 7E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000017E94E33380, 16 bytes long.
Data: <¨Òâ”~ > A8 D2 E2 94 7E 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000017E94E2C470, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000017E94E33920, 16 bytes long.
Data: < Òâ”~ > 80 D2 E2 94 7E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000017E94E2D280, 320 bytes long.
Data: < 9ã”~ pÄâ”~ > 20 39 E3 94 7E 01 00 00 70 C4 E2 94 7E 01 00 00
{278} normal block at 0x0000017E94E33650, 16 bytes long.
Data: <Ð@ã”~ > D0 40 E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000017E94E337E0, 16 bytes long.
Data: <¨@ã”~ > A8 40 E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000017E94E2BCF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000017E94E33CE0, 16 bytes long.
Data: < @ã”~ > 80 40 E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000017E94E2C050, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000017E94E331F0, 16 bytes long.
Data: <È?ã”~ > C8 3F E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000017E94E33AB0, 16 bytes long.
Data: < ?ã”~ > A0 3F E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017E94E33A60, 16 bytes long.
Data: <x?ã”~ > 78 3F E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000017E94E33830, 16 bytes long.
Data: <P?ã”~ > 50 3F E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000017E94E335B0, 16 bytes long.
Data: <(?ã”~ > 28 3F E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000017E94E33B50, 16 bytes long.
Data: < ?ã”~ > 00 3F E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000017E94E32F20, 16 bytes long.
Data: <`×â”~ > 60 D7 E2 94 7E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000017E94E2D760, 40 bytes long.
Data: < /ã”~ @ ­–~ > 20 2F E3 94 7E 01 00 00 40 16 AD 96 7E 01 00 00
{264} normal block at 0x0000017E94E332E0, 16 bytes long.
Data: <à>ã”~ > E0 3E E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000017E94E33600, 16 bytes long.
Data: <¸>ã”~ > B8 3E E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000017E94E2C650, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000017E94E33470, 16 bytes long.
Data: < >ã”~ > 90 3E E3 94 7E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000017E94E33E90, 992 bytes long.
Data: <p4ã”~ PÆâ”~ > 70 34 E3 94 7E 01 00 00 50 C6 E2 94 7E 01 00 00
{96} normal block at 0x0000017E94E2BBD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000017E94E27170, 16 bytes long.
Data: <ÀÔâ”~ > C0 D4 E2 94 7E 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000017E94E2D4C0, 40 bytes long.
Data: <pqâ”~ лâ”~ > 70 71 E2 94 7E 01 00 00 D0 BB E2 94 7E 01 00 00
{73} normal block at 0x0000017E94E27120, 16 bytes long.
Data: < êQÖ÷ > 80 EA 51 D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000017E94E27300, 16 bytes long.
Data: <@éQÖ÷ > 40 E9 51 D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000017E94E26AE0, 16 bytes long.
Data: <øWNÖ÷ > F8 57 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000017E94E274E0, 16 bytes long.
Data: <ØWNÖ÷ > D8 57 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000017E94E271C0, 16 bytes long.
Data: <P NÖ÷ > 50 04 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000017E94E272B0, 16 bytes long.
Data: <0 NÖ÷ > 30 04 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000017E94E26A90, 16 bytes long.
Data: <à NÖ÷ > E0 02 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000017E94E27580, 16 bytes long.
Data: < NÖ÷ > 10 04 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000017E94E26C70, 16 bytes long.
Data: <p NÖ÷ > 70 04 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000017E94E27080, 16 bytes long.
Data: < ÀLÖ÷ > 18 C0 4C D6 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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