Task 38641978
| Name | JNK1_RE_A14_A06_r0_4-QUICO_ATM_OpenFF23_NAGL_JNK1_RE-4-6-RND2508_1 |
| Workunit | 31584159 |
| Created | 3 May 2026, 18:35:15 UTC |
| Sent | 3 May 2026, 18:35:18 UTC |
| Report deadline | 8 May 2026, 18:35:18 UTC |
| Received | 4 May 2026, 8:02:58 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 628418 |
| Run time | 4 hours 58 min 29 sec |
| CPU time | 4 hours 58 min 29 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 | 636.99 MB |
| Peak swap size | 9.85 GB |
| Peak disk usage | 3.06 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>
04:12:50 (8964): wrapper (7.9.26016): starting
04:12:50 (8964): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A06_0.pdb
QB_A14_A06_0.xml
QB_A14_A06.inpcrd
QB_A14_A06_input.yaml
QB_A14_A06.pdb
QB_A14_A06.prmtop
QB_A14_A06_sys.xml
run.bat
run.sh
04:12:53 (8964): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:12:53 (8964): 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
09:01:08 (8964): C:/Windows/system32/cmd.exe exited; CPU time 17909.046875
09:01:08 (8964): app exit status: 0x16
09:01:08 (8964): 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: 275009101 bytes.
Dumping objects ->
{3835247} normal block at 0x000001CD8D6B1090, 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 0x000001CD8D7F63B0, 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 0x000001CD8D7F6110, 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 0x000001CD8D7F6230, 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 0x000001CD8D7F60B0, 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 0x000001CD8D6B0CA0, 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 0x000001CD8D7956A0, 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 0x000001CD8BBD6DB0, 8 bytes long.
Data: < F Í > 00 00 46 8D CD 01 00 00
{3834561} normal block at 0x000001CD8D795880, 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 0x000001CD8BBD6AE0, 8 bytes long.
Data: < Dy Í > 90 44 79 8D CD 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001CD8BBE1DD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001CD8BBCB4A0, 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 0x000001CD8BBE31D0, 16 bytes long.
Data: <HA¾‹Í > 48 41 BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CD8BBE3D60, 16 bytes long.
Data: < A¾‹Í > 20 41 BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CD8BBDBB70, 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 0x000001CD8BBE3CC0, 16 bytes long.
Data: <ø@¾‹Í > F8 40 BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CD8BBE33B0, 16 bytes long.
Data: <Ð@¾‹Í > D0 40 BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CD8BBE30E0, 16 bytes long.
Data: <¨@¾‹Í > A8 40 BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CD8BBE3590, 16 bytes long.
Data: < @¾‹Í > 80 40 BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CD8BBDD4C0, 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 0x000001CD8BBE3270, 16 bytes long.
Data: < a¼‹Í > 88 61 BC 8B CD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CD8BBDC3B0, 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 0x000001CD8BBE3C70, 16 bytes long.
Data: <`a¼‹Í > 60 61 BC 8B CD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CD8BBE3C20, 16 bytes long.
Data: <8a¼‹Í > 38 61 BC 8B CD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CD8BBE3B30, 16 bytes long.
Data: < a¼‹Í > 10 61 BC 8B CD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CD8BBE3090, 16 bytes long.
Data: <è`¼‹Í > E8 60 BC 8B CD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CD8BBE3A90, 16 bytes long.
Data: <À`¼‹Í > C0 60 BC 8B CD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CD8BBE2F50, 16 bytes long.
Data: < `¼‹Í > 98 60 BC 8B CD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CD8BBDBFF0, 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 0x000001CD8BBE3860, 16 bytes long.
Data: <p`¼‹Í > 70 60 BC 8B CD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CD8BBC6070, 320 bytes long.
Data: <`8¾‹Í ð¿½‹Í > 60 38 BE 8B CD 01 00 00 F0 BF BD 8B CD 01 00 00
{278} normal block at 0x000001CD8BBE37C0, 16 bytes long.
Data: <`@¾‹Í > 60 40 BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CD8BBE3B80, 16 bytes long.
Data: <8@¾‹Í > 38 40 BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CD8BBDC6B0, 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 0x000001CD8BBE3180, 16 bytes long.
Data: < @¾‹Í > 10 40 BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CD8BBDC410, 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 0x000001CD8BBE3900, 16 bytes long.
Data: <X?¾‹Í > 58 3F BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CD8BBE3040, 16 bytes long.
Data: <0?¾‹Í > 30 3F BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CD8BBE3770, 16 bytes long.
Data: < ?¾‹Í > 08 3F BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CD8BBE3720, 16 bytes long.
Data: <à>¾‹Í > E0 3E BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CD8BBE36D0, 16 bytes long.
Data: <¸>¾‹Í > B8 3E BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CD8BBE2FA0, 16 bytes long.
Data: < >¾‹Í > 90 3E BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CD8BBE3630, 16 bytes long.
Data: <°Ø½‹Í > B0 D8 BD 8B CD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CD8BBDD8B0, 40 bytes long.
Data: <06¾‹Í   k Í > 30 36 BE 8B CD 01 00 00 A0 0C 6B 8D CD 01 00 00
{264} normal block at 0x000001CD8BBE3360, 16 bytes long.
Data: <p>¾‹Í > 70 3E BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CD8BBE3810, 16 bytes long.
Data: <H>¾‹Í > 48 3E BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CD8BBDC530, 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 0x000001CD8BBE2F00, 16 bytes long.
Data: < >¾‹Í > 20 3E BE 8B CD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CD8BBE3E20, 992 bytes long.
Data: < /¾‹Í 0Ž‹Í > 00 2F BE 8B CD 01 00 00 30 C5 BD 8B CD 01 00 00
{96} normal block at 0x000001CD8BBDBDB0, 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 0x000001CD8BBD7760, 16 bytes long.
Data: < Õ½‹Í > A0 D5 BD 8B CD 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001CD8BBDD5A0, 40 bytes long.
Data: <`w½‹Í °½½‹Í > 60 77 BD 8B CD 01 00 00 B0 BD BD 8B CD 01 00 00
{73} normal block at 0x000001CD8BBD7670, 16 bytes long.
Data: < ê»!ö > 80 EA BB 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001CD8BBD7030, 16 bytes long.
Data: <@é»!ö > 40 E9 BB 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001CD8BBD75D0, 16 bytes long.
Data: <øW¸!ö > F8 57 B8 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CD8BBD6C20, 16 bytes long.
Data: <ØW¸!ö > D8 57 B8 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CD8BBD72B0, 16 bytes long.
Data: <P ¸!ö > 50 04 B8 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CD8BBD71C0, 16 bytes long.
Data: <0 ¸!ö > 30 04 B8 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CD8BBD6A90, 16 bytes long.
Data: <à ¸!ö > E0 02 B8 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CD8BBD7990, 16 bytes long.
Data: < ¸!ö > 10 04 B8 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CD8BBD6F40, 16 bytes long.
Data: <p ¸!ö > 70 04 B8 21 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CD8BBD6EA0, 16 bytes long.
Data: < À¶!ö > 18 C0 B6 21 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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