Task 38583600
| Name | PFKFB3_A03_A29_r0_1-QUICO_ATM_GAFF2_LOMAP_PFKFB3-4-5-RND7002_0 |
| Workunit | 31547691 |
| Created | 14 Dec 2025, 9:57:30 UTC |
| Sent | 14 Dec 2025, 9:57:33 UTC |
| Report deadline | 19 Dec 2025, 9:57:33 UTC |
| Received | 15 Dec 2025, 1:07:46 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 535625 |
| Run time | 11 hours 53 min 21 sec |
| CPU time | 11 hours 53 min 21 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 10,694.04 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 731.49 MB |
| Peak swap size | 9.90 GB |
| Peak disk usage | 3.29 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>
08:16:33 (20284): wrapper (7.9.26016): starting
08:16:33 (20284): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A29_0.pdb
QB_A03_A29_0.xml
QB_A03_A29_equil.pdb
QB_A03_A29.inpcrd
QB_A03_A29_input.yaml
QB_A03_A29_mdlambda.pdb
QB_A03_A29_min.pdb
QB_A03_A29_npt.pdb
QB_A03_A29.pdb
QB_A03_A29.prmtop
QB_A03_A29_sys.xml
QB_A03_A29_therm.pdb
run.bat
run.sh
08:16:50 (20284): Library/usr/bin/tar.exe exited; CPU time 1.187500
08:16:50 (20284): 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\2\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\2\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\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\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\2\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\2\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
20:05:34 (20284): C:/Windows/system32/cmd.exe exited; CPU time 42800.781250
20:05:34 (20284): app exit status: 0x16
20:05:34 (20284): 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: 639044081 bytes.
Dumping objects ->
{3835279} normal block at 0x000001F5CC7BD960, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835268} normal block at 0x000001F5CC7BD570, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835257} normal block at 0x000001F5CC7BCE00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835246} normal block at 0x000001F5CAB20B50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835235} normal block at 0x000001F5CAB20AE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835204} normal block at 0x000001F5CC805110, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835193} normal block at 0x000001F5CAB6E0B0, 140 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) : {3835190} normal block at 0x000001F5CAB1C930, 8 bytes long.
Data: < JÌõ > 00 00 4A CC F5 01 00 00
{3834562} normal block at 0x000001F5CAB6D7C0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001F5CAB1CCF0, 8 bytes long.
Data: <°z Ìõ > B0 7A 81 CC F5 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001F5CAB14590, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F5CAB0B530, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001F5CAB22A30, 16 bytes long.
Data: <x7²Êõ > 78 37 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F5CAB22990, 16 bytes long.
Data: <P7²Êõ > 50 37 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F5CAB1E450, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001F5CAB231B0, 16 bytes long.
Data: <(7²Êõ > 28 37 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F5CAB22580, 16 bytes long.
Data: < 7²Êõ > 00 37 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F5CAB22B70, 16 bytes long.
Data: <Ø6²Êõ > D8 36 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F5CAB23390, 16 bytes long.
Data: <°6²Êõ > B0 36 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F5CAB20DF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001F5CAB23070, 16 bytes long.
Data: <xÙ°Êõ > 78 D9 B0 CA F5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F5CAB1F230, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001F5CAB23020, 16 bytes long.
Data: <PÙ°Êõ > 50 D9 B0 CA F5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F5CAB228F0, 16 bytes long.
Data: <(Ù°Êõ > 28 D9 B0 CA F5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F5CAB233E0, 16 bytes long.
Data: < Ù°Êõ > 00 D9 B0 CA F5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F5CAB23250, 16 bytes long.
Data: <ØØ°Êõ > D8 D8 B0 CA F5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F5CAB22EE0, 16 bytes long.
Data: <°Ø°Êõ > B0 D8 B0 CA F5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F5CAB228A0, 16 bytes long.
Data: < Ø°Êõ > 88 D8 B0 CA F5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F5CAB1E690, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001F5CAB22CB0, 16 bytes long.
Data: <`Ø°Êõ > 60 D8 B0 CA F5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F5CAB0D860, 320 bytes long.
Data: <°,²Êõ æ±Êõ > B0 2C B2 CA F5 01 00 00 90 E6 B1 CA F5 01 00 00
{269} normal block at 0x000001F5CAB22850, 16 bytes long.
Data: < 6²Êõ > 90 36 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F5CAB23160, 16 bytes long.
Data: <h6²Êõ > 68 36 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F5CAB1ECF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001F5CAB22F30, 16 bytes long.
Data: <@6²Êõ > 40 36 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F5CAB1E630, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001F5CAB229E0, 16 bytes long.
Data: < 5²Êõ > 88 35 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F5CAB22800, 16 bytes long.
Data: <`5²Êõ > 60 35 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F5CAB230C0, 16 bytes long.
Data: <85²Êõ > 38 35 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F5CAB22A80, 16 bytes long.
Data: < 5²Êõ > 10 35 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F5CAB22940, 16 bytes long.
Data: <è4²Êõ > E8 34 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F5CAB227B0, 16 bytes long.
Data: <À4²Êõ > C0 34 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F5CAB22FD0, 16 bytes long.
Data: <À ²Êõ > C0 0B B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F5CAB20BC0, 40 bytes long.
Data: <Ð/²Êõ Q Ìõ > D0 2F B2 CA F5 01 00 00 10 51 80 CC F5 01 00 00
{255} normal block at 0x000001F5CAB23110, 16 bytes long.
Data: < 4²Êõ > A0 34 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001F5CAB22530, 16 bytes long.
Data: <x4²Êõ > 78 34 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001F5CAB1F2F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001F5CAB22C60, 16 bytes long.
Data: <P4²Êõ > 50 34 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001F5CAB23450, 992 bytes long.
Data: <`,²Êõ ðò±Êõ > 60 2C B2 CA F5 01 00 00 F0 F2 B1 CA F5 01 00 00
{87} normal block at 0x000001F5CAB1EA50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001F5CAB1C5C0, 16 bytes long.
Data: <° ²Êõ > B0 08 B2 CA F5 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001F5CAB208B0, 40 bytes long.
Data: <ÀűÊõ Pê±Êõ > C0 C5 B1 CA F5 01 00 00 50 EA B1 CA F5 01 00 00
{64} normal block at 0x000001F5CAB1D060, 16 bytes long.
Data: < ê"•÷ > 80 EA 22 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F5CAB1C7A0, 16 bytes long.
Data: <@é"•÷ > 40 E9 22 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F5CAB1D1A0, 16 bytes long.
Data: <øW •÷ > F8 57 1F 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F5CAB1C570, 16 bytes long.
Data: <ØW •÷ > D8 57 1F 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F5CAB1C8E0, 16 bytes long.
Data: <P •÷ > 50 04 1F 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F5CAB1D420, 16 bytes long.
Data: <0 •÷ > 30 04 1F 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F5CAB1CD40, 16 bytes long.
Data: <à •÷ > E0 02 1F 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001F5CAB1CB60, 16 bytes long.
Data: < •÷ > 10 04 1F 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001F5CAB1CAC0, 16 bytes long.
Data: <p •÷ > 70 04 1F 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001F5CAB1CA70, 16 bytes long.
Data: < À •÷ > 18 C0 1D 95 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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