Task 38641515
| Name | p38_3_A04_A03_r0_5-QUICO_ATM_OpenFF_NAGL_p38_3-4-6-RND9484_0 |
| Workunit | 31588681 |
| Created | 2 May 2026, 19:43:52 UTC |
| Sent | 2 May 2026, 19:43:56 UTC |
| Report deadline | 7 May 2026, 19:43:56 UTC |
| Received | 5 May 2026, 17:21:48 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 613613 |
| Run time | 4 hours 57 min 26 sec |
| CPU time | 4 hours 25 min 55 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 18,252.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 675.53 MB |
| Peak swap size | 8.41 GB |
| Peak disk usage | 4.13 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:03:40 (197832): wrapper (7.9.26016): starting
15:03:40 (197832): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A03_0.pdb
QB_A04_A03_0.xml
QB_A04_A03.inpcrd
QB_A04_A03_input.yaml
QB_A04_A03.pdb
QB_A04_A03.prmtop
QB_A04_A03_sys.xml
run.bat
run.sh
15:03:45 (197832): Library/usr/bin/tar.exe exited; CPU time 0.140625
15:03:45 (197832): 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\1\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\1\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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\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\1\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\1\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
20:19:42 (197832): C:/Windows/system32/cmd.exe exited; CPU time 15955.796875
20:19:42 (197832): app exit status: 0x16
20:19:42 (197832): 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: 319258081 bytes.
Dumping objects ->
{3835547} normal block at 0x000001B27BBCD890, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835536} normal block at 0x000001B27BBCE310, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x000001B279E85490, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835514} normal block at 0x000001B279E858F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835503} normal block at 0x000001B279E85810, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835472} normal block at 0x000001B27BC178C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835461} normal block at 0x000001B27BC2F6F0, 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) : {3835458} normal block at 0x000001B279E7DA80, 8 bytes long.
Data: < *z² > 00 00 2A 7A B2 01 00 00
{3834691} normal block at 0x000001B27BC2F640, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000001B279E7DD00, 8 bytes long.
Data: <€YÊ{² > 80 59 CA 7B B2 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001B279E81E60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001B279E766A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001B279E86250, 16 bytes long.
Data: < sèy² > 08 73 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B279E862A0, 16 bytes long.
Data: <àrèy² > E0 72 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B279E7F7D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001B279E86750, 16 bytes long.
Data: <¸rèy² > B8 72 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B279E86E30, 16 bytes long.
Data: <rèy² > 90 72 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B279E86660, 16 bytes long.
Data: <hrèy² > 68 72 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B279E867A0, 16 bytes long.
Data: <@rèy² > 40 72 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B279E852D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001B279E86C00, 16 bytes long.
Data: <høæy² > 68 F8 E6 79 B2 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B279E7FA10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001B279E86B60, 16 bytes long.
Data: <@øæy² > 40 F8 E6 79 B2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B279E86570, 16 bytes long.
Data: < øæy² > 18 F8 E6 79 B2 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B279E86520, 16 bytes long.
Data: <ð÷æy² > F0 F7 E6 79 B2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B279E867F0, 16 bytes long.
Data: <È÷æy² > C8 F7 E6 79 B2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B279E86610, 16 bytes long.
Data: < ÷æy² > A0 F7 E6 79 B2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B279E86160, 16 bytes long.
Data: <x÷æy² > 78 F7 E6 79 B2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B279E7FCB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001B279E86430, 16 bytes long.
Data: <P÷æy² > 50 F7 E6 79 B2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B279E6F750, 320 bytes long.
Data: <0dèy² °üçy² > 30 64 E8 79 B2 01 00 00 B0 FC E7 79 B2 01 00 00
{277} normal block at 0x000001B279E86390, 16 bytes long.
Data: < rèy² > 20 72 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B279E865C0, 16 bytes long.
Data: <øqèy² > F8 71 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B279E80310, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001B279E86200, 16 bytes long.
Data: <Ðqèy² > D0 71 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B279E7FC50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001B279E86340, 16 bytes long.
Data: < qèy² > 18 71 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B279E864D0, 16 bytes long.
Data: <ðpèy² > F0 70 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B279E86890, 16 bytes long.
Data: <Èpèy² > C8 70 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B279E86110, 16 bytes long.
Data: < pèy² > A0 70 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B279E861B0, 16 bytes long.
Data: <xpèy² > 78 70 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B279E86A70, 16 bytes long.
Data: <Ppèy² > 50 70 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B279E86480, 16 bytes long.
Data: <àUèy² > E0 55 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B279E855E0, 40 bytes long.
Data: <€dèy² ÀxÁ{² > 80 64 E8 79 B2 01 00 00 C0 78 C1 7B B2 01 00 00
{263} normal block at 0x000001B279E86ED0, 16 bytes long.
Data: <0pèy² > 30 70 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B279E862F0, 16 bytes long.
Data: < pèy² > 08 70 E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B279E806D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001B279E863E0, 16 bytes long.
Data: <àoèy² > E0 6F E8 79 B2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B279E86FE0, 992 bytes long.
Data: <àcèy² Ð èy² > E0 63 E8 79 B2 01 00 00 D0 06 E8 79 B2 01 00 00
{95} normal block at 0x000001B279E7F9B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001B279E7D9E0, 16 bytes long.
Data: < ëæy² > 00 EB E6 79 B2 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001B279E6EB00, 40 bytes long.
Data: <àÙçy² °ùçy² > E0 D9 E7 79 B2 01 00 00 B0 F9 E7 79 B2 01 00 00
{72} normal block at 0x000001B279E7E4D0, 16 bytes long.
Data: <€êR ÷ > 80 EA 52 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B279E7DEE0, 16 bytes long.
Data: <@éR ÷ > 40 E9 52 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B279E7DDA0, 16 bytes long.
Data: <øWO ÷ > F8 57 4F 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B279E7E7F0, 16 bytes long.
Data: <ØWO ÷ > D8 57 4F 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B279E7E520, 16 bytes long.
Data: <P O ÷ > 50 04 4F 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B279E7DDF0, 16 bytes long.
Data: <0 O ÷ > 30 04 4F 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B279E7DC10, 16 bytes long.
Data: <à O ÷ > E0 02 4F 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B279E7E7A0, 16 bytes long.
Data: < O ÷ > 10 04 4F 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B279E7DB20, 16 bytes long.
Data: <p O ÷ > 70 04 4F 01 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B279E7E250, 16 bytes long.
Data: < ÀM ÷ > 18 C0 4D 01 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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