Task 38599997
| Name | TYK2_A06_A01_r0_2-QUICO_ATM_GAFF2_NAGL_TYK2-4-5-RND0821_0 |
| Workunit | 31554803 |
| Created | 8 Apr 2026, 23:07:18 UTC |
| Sent | 8 Apr 2026, 23:08:11 UTC |
| Report deadline | 13 Apr 2026, 23:08:11 UTC |
| Received | 8 Apr 2026, 23:30:46 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 624957 |
| Run time | 3 min 10 sec |
| CPU time | 58 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 | 624.17 MB |
| Peak swap size | 6.48 GB |
| Peak disk usage | 3.01 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>
18:27:01 (18664): wrapper (7.9.26016): starting
18:27:01 (18664): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A01_0.pdb
QB_A06_A01_0.xml
QB_A06_A01.inpcrd
QB_A06_A01_input.yaml
QB_A06_A01.pdb
QB_A06_A01.prmtop
QB_A06_A01_sys.xml
run.bat
run.sh
18:27:03 (18664): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:27:03 (18664): 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 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\openmm_async_re.py", line 443, in __init__
self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 251, in _openmm_worker_makecontext
self.simulation = Simulation(self.topology, self.system, self.integrator, self.platform, self.platform_properties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
18:28:40 (18664): C:/Windows/system32/cmd.exe exited; CPU time 58.765625
18:28:40 (18664): app exit status: 0x16
18:28:40 (18664): 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: 1392675 bytes.
Dumping objects ->
{3835202} normal block at 0x000001D48C13C820, 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 0x000001D48A574E30, 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 0x000001D48A574DC0, 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 0x000001D48A574F10, 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 0x000001D48A574EA0, 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 0x000001D48C183FC0, 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 0x000001D48A56D5B0, 8 bytes long.
Data: < QŠÔ > 00 00 51 8A D4 01 00 00
{3833965} normal block at 0x000001D48A56DE70, 8 bytes long.
Data: <`×UŠÔ > 60 D7 55 8A D4 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001D48A560F20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001D48A561B30, 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 0x000001D48A575990, 16 bytes long.
Data: <xgWŠÔ > 78 67 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D48A575F80, 16 bytes long.
Data: <PgWŠÔ > 50 67 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D48A571620, 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 0x000001D48A575C10, 16 bytes long.
Data: <(gWŠÔ > 28 67 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D48A575AD0, 16 bytes long.
Data: < gWŠÔ > 00 67 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D48A575DF0, 16 bytes long.
Data: <ØfWŠÔ > D8 66 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D48A575850, 16 bytes long.
Data: <°fWŠÔ > B0 66 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D48A5749D0, 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 0x000001D48A575800, 16 bytes long.
Data: < WŠÔ > 88 08 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D48A571080, 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 0x000001D48A5754E0, 16 bytes long.
Data: <` WŠÔ > 60 08 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D48A5755D0, 16 bytes long.
Data: <8 WŠÔ > 38 08 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D48A575BC0, 16 bytes long.
Data: < WŠÔ > 10 08 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D48A575940, 16 bytes long.
Data: <è WŠÔ > E8 07 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D48A5763E0, 16 bytes long.
Data: <À WŠÔ > C0 07 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D48A5758A0, 16 bytes long.
Data: < WŠÔ > 98 07 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D48A570D20, 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 0x000001D48A5758F0, 16 bytes long.
Data: <p WŠÔ > 70 07 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D48A570770, 320 bytes long.
Data: <ðXWŠÔ WŠÔ > F0 58 57 8A D4 01 00 00 20 0D 57 8A D4 01 00 00
{278} normal block at 0x000001D48A575490, 16 bytes long.
Data: < fWŠÔ > 90 66 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D48A576110, 16 bytes long.
Data: <hfWŠÔ > 68 66 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D48A5712C0, 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 0x000001D48A5761B0, 16 bytes long.
Data: <@fWŠÔ > 40 66 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D48A570C60, 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 0x000001D48A575F30, 16 bytes long.
Data: < eWŠÔ > 88 65 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D48A575EE0, 16 bytes long.
Data: <`eWŠÔ > 60 65 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D48A575670, 16 bytes long.
Data: <8eWŠÔ > 38 65 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D48A5762F0, 16 bytes long.
Data: < eWŠÔ > 10 65 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D48A576390, 16 bytes long.
Data: <èdWŠÔ > E8 64 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D48A575DA0, 16 bytes long.
Data: <ÀdWŠÔ > C0 64 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D48A575E90, 16 bytes long.
Data: < HWŠÔ > 80 48 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D48A574880, 40 bytes long.
Data: < ^WŠÔ À? ŒÔ > 90 5E 57 8A D4 01 00 00 C0 3F 18 8C D4 01 00 00
{264} normal block at 0x000001D48A575D50, 16 bytes long.
Data: < dWŠÔ > A0 64 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D48A575C60, 16 bytes long.
Data: <xdWŠÔ > 78 64 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D48A570A20, 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 0x000001D48A576340, 16 bytes long.
Data: <PdWŠÔ > 50 64 57 8A D4 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D48A576450, 992 bytes long.
Data: <@cWŠÔ WŠÔ > 40 63 57 8A D4 01 00 00 20 0A 57 8A D4 01 00 00
{96} normal block at 0x000001D48A571860, 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 0x000001D48A56DDD0, 16 bytes long.
Data: <ÀÒUŠÔ > C0 D2 55 8A D4 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001D48A55D2C0, 40 bytes long.
Data: <ÐÝVŠÔ ` WŠÔ > D0 DD 56 8A D4 01 00 00 60 18 57 8A D4 01 00 00
{73} normal block at 0x000001D48A56D010, 16 bytes long.
Data: < êéá÷ > 80 EA E9 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001D48A56D9C0, 16 bytes long.
Data: <@ééá÷ > 40 E9 E9 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D48A56DF60, 16 bytes long.
Data: <øWæá÷ > F8 57 E6 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D48A56DBA0, 16 bytes long.
Data: <ØWæá÷ > D8 57 E6 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D48A56DAB0, 16 bytes long.
Data: <P æá÷ > 50 04 E6 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D48A56D970, 16 bytes long.
Data: <0 æá÷ > 30 04 E6 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D48A56DC90, 16 bytes long.
Data: <à æá÷ > E0 02 E6 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D48A56D3D0, 16 bytes long.
Data: < æá÷ > 10 04 E6 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D48A56DBF0, 16 bytes long.
Data: <p æá÷ > 70 04 E6 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D48A56D1F0, 16 bytes long.
Data: < Àäá÷ > 18 C0 E4 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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