Task 38597254
| Name | BACE_A18_A10_r0_2-QUICO_ATM_GAFF2_NAGL_BACE-0-6-RND0112_1 |
| Workunit | 31552602 |
| Created | 8 Apr 2026, 7:44:56 UTC |
| Sent | 8 Apr 2026, 7:59:15 UTC |
| Report deadline | 13 Apr 2026, 7:59:15 UTC |
| Received | 8 Apr 2026, 8:47:03 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 624957 |
| Run time | 45 min 36 sec |
| CPU time | 43 min 25 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,882.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 541.24 MB |
| Peak swap size | 6.62 GB |
| Peak disk usage | 4.14 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>
03:01:00 (10096): wrapper (7.9.26016): starting
03:01:00 (10096): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A10_0.pdb
QB_A18_A10_0.xml
QB_A18_A10.inpcrd
QB_A18_A10_input.yaml
QB_A18_A10.pdb
QB_A18_A10.prmtop
QB_A18_A10_sys.xml
run.bat
run.sh
03:01:02 (10096): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:01:02 (10096): 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\14\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\14\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\14\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\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\14\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\14\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
03:45:01 (10096): C:/Windows/system32/cmd.exe exited; CPU time 2605.578125
03:45:01 (10096): app exit status: 0x16
03:45:01 (10096): 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: 40966611 bytes.
Dumping objects ->
{3835202} normal block at 0x0000018062D3DC70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x0000018062D3E7D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x0000018062D3DE30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835169} normal block at 0x0000018062D3DF10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835158} normal block at 0x0000018062D13200, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835127} normal block at 0x0000018064867C90, 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) : {3835114} normal block at 0x0000018062D0DCA0, 8 bytes long.
Data: < sd > 00 00 73 64 80 01 00 00
{3833965} normal block at 0x0000018062D0DC50, 8 bytes long.
Data: < v d > 00 76 8F 64 80 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000018062D05F70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000018062D054D0, 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 0x0000018062D19AF0, 16 bytes long.
Data: <h Ñb > 68 A0 D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000018062D191E0, 16 bytes long.
Data: <@ Ñb > 40 A0 D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000018062D14770, 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 0x0000018062D18E20, 16 bytes long.
Data: <  Ñb > 18 A0 D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000018062D19AA0, 16 bytes long.
Data: <ðŸÑb > F0 9F D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000018062D18DD0, 16 bytes long.
Data: <ÈŸÑb > C8 9F D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018062D19910, 16 bytes long.
Data: < ŸÑb > A0 9F D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000018062D134A0, 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 0x0000018062D18FB0, 16 bytes long.
Data: <è4Ðb > E8 34 D0 62 80 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018062D15190, 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 0x0000018062D18D80, 16 bytes long.
Data: <À4Ðb > C0 34 D0 62 80 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000018062D199B0, 16 bytes long.
Data: < 4Ðb > 98 34 D0 62 80 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018062D19780, 16 bytes long.
Data: <p4Ðb > 70 34 D0 62 80 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018062D19BE0, 16 bytes long.
Data: <H4Ðb > 48 34 D0 62 80 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000018062D19960, 16 bytes long.
Data: < 4Ðb > 20 34 D0 62 80 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018062D19730, 16 bytes long.
Data: <ø3Ðb > F8 33 D0 62 80 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000018062D14B90, 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 0x0000018062D196E0, 16 bytes long.
Data: <Ð3Ðb > D0 33 D0 62 80 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000018062D033D0, 320 bytes long.
Data: <à–Ñb KÑb > E0 96 D1 62 80 01 00 00 90 4B D1 62 80 01 00 00
{278} normal block at 0x0000018062D19640, 16 bytes long.
Data: < ŸÑb > 80 9F D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018062D19140, 16 bytes long.
Data: <XŸÑb > 58 9F D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000018062D14F50, 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 0x0000018062D19550, 16 bytes long.
Data: <0ŸÑb > 30 9F D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000018062D14A10, 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 0x0000018062D195A0, 16 bytes long.
Data: <xžÑb > 78 9E D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018062D19280, 16 bytes long.
Data: <PžÑb > 50 9E D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000018062D19A50, 16 bytes long.
Data: <(žÑb > 28 9E D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018062D19C80, 16 bytes long.
Data: < žÑb > 00 9E D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018062D19190, 16 bytes long.
Data: <Ø Ñb > D8 9D D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000018062D194B0, 16 bytes long.
Data: <° Ñb > B0 9D D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018062D19370, 16 bytes long.
Data: < 5Ñb > 10 35 D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000018062D13510, 40 bytes long.
Data: <p“Ñb |†d > 70 93 D1 62 80 01 00 00 90 7C 86 64 80 01 00 00
{264} normal block at 0x0000018062D19500, 16 bytes long.
Data: < Ñb > 90 9D D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000018062D18F10, 16 bytes long.
Data: <h Ñb > 68 9D D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000018062D14A70, 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 0x0000018062D192D0, 16 bytes long.
Data: <@ Ñb > 40 9D D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000018062D19D40, 992 bytes long.
Data: <Ð’Ñb pJÑb > D0 92 D1 62 80 01 00 00 70 4A D1 62 80 01 00 00
{96} normal block at 0x0000018062D15310, 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 0x0000018062D0DF20, 16 bytes long.
Data: <p2Ñb > 70 32 D1 62 80 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000018062D13270, 40 bytes long.
Data: < ßÐb SÑb > 20 DF D0 62 80 01 00 00 10 53 D1 62 80 01 00 00
{73} normal block at 0x0000018062D0E880, 16 bytes long.
Data: < ꓽ÷ > 80 EA 93 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000018062D0E7E0, 16 bytes long.
Data: <@铽÷ > 40 E9 93 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000018062D0E740, 16 bytes long.
Data: <øW ½÷ > F8 57 90 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000018062D0DD40, 16 bytes long.
Data: <ØW ½÷ > D8 57 90 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000018062D0DED0, 16 bytes long.
Data: <P ½÷ > 50 04 90 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018062D0DC00, 16 bytes long.
Data: <0 ½÷ > 30 04 90 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000018062D0E6F0, 16 bytes long.
Data: <à ½÷ > E0 02 90 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000018062D0DB10, 16 bytes long.
Data: < ½÷ > 10 04 90 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000018062D0E560, 16 bytes long.
Data: <p ½÷ > 70 04 90 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000018062D0E8D0, 16 bytes long.
Data: < ÀŽ½÷ > 18 C0 8E BD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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