Task 38600890
| Name | TYK2_A08_A13_r0_1-QUICO_ATM_GAFF2_NAGL_TYK2-1-5-RND0069_0 |
| Workunit | 31555542 |
| Created | 9 Apr 2026, 8:13:49 UTC |
| Sent | 9 Apr 2026, 8:13:56 UTC |
| Report deadline | 14 Apr 2026, 8:13:56 UTC |
| Received | 10 Apr 2026, 22:13:46 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 651773 |
| Run time | 17 min 2 sec |
| CPU time | 10 min 20 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 58,068.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.36 MB |
| Peak swap size | 6.96 GB |
| Peak disk usage | 3.38 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
(null) nelze spustit.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
22:56:23 (19784): wrapper (7.9.26016): starting
22:56:23 (19784): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A13_0.pdb
QB_A08_A13_0.xml
QB_A08_A13.inpcrd
QB_A08_A13_input.yaml
QB_A08_A13.pdb
QB_A08_A13.prmtop
QB_A08_A13_sys.xml
run.bat
run.sh
22:56:32 (19784): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:56:32 (19784): 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\4\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\4\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835482} normal block at 0x000002CA75B5FAB0, 8 bytes long.
Data: < Iw > 00 00 49 77 CA 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000002CA7782CC00, 1080 bytes long.
Data: < | > CC 7C 00 00 CD CD CD CD 04 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002CA75B53BC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
00:00:48 (2364): wrapper (7.9.26016): starting
00:00:48 (2364): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\4\tmp already exists.
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\4\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\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\4\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\4\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_OUT_OF_MEMORY (2)
00:12:18 (2364): C:/Windows/system32/cmd.exe exited; CPU time 608.640625
00:12:18 (2364): app exit status: 0x16
00:12:18 (2364): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 13302850 bytes.
Dumping objects ->
{1912} normal block at 0x0000019CADF36C60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1901} normal block at 0x0000019CADF36B10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1890} normal block at 0x0000019CADF36AA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1879} normal block at 0x0000019CADF369C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1868} normal block at 0x0000019CADF366B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1837} normal block at 0x0000019CADF2ED70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1826} normal block at 0x0000019CADF1E360, 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) : {1823} normal block at 0x0000019CADF39170, 8 bytes long.
Data: < > 00 00 EC AD 9C 01 00 00
{1045} normal block at 0x0000019CADF2ECC0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{310} normal block at 0x0000019CADF388B0, 8 bytes long.
Data: < > 00 96 F3 AD 9C 01 00 00
{301} normal block at 0x0000019CADF29A70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000019CADF389F0, 16 bytes long.
Data: < > 08 95 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000019CADF390D0, 16 bytes long.
Data: < > E0 94 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019CADF33010, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000019CADF38860, 16 bytes long.
Data: < > B8 94 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019CADF38CC0, 16 bytes long.
Data: < > 90 94 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019CADF39030, 16 bytes long.
Data: <h > 68 94 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019CADF384F0, 16 bytes long.
Data: <@ > 40 94 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019CADF36950, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000019CADF38F90, 16 bytes long.
Data: <(% > 28 25 F2 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019CADF32770, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000019CADF38A90, 16 bytes long.
Data: < % > 00 25 F2 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019CADF389A0, 16 bytes long.
Data: < $ > D8 24 F2 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019CADF38F40, 16 bytes long.
Data: < $ > B0 24 F2 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019CADF38E50, 16 bytes long.
Data: < $ > 88 24 F2 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019CADF38220, 16 bytes long.
Data: <`$ > 60 24 F2 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019CADF38270, 16 bytes long.
Data: <8$ > 38 24 F2 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019CADF330D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000019CADF38810, 16 bytes long.
Data: < $ > 10 24 F2 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019CADF22410, 320 bytes long.
Data: < 0 > 10 88 F3 AD 9C 01 00 00 D0 30 F3 AD 9C 01 00 00
{280} normal block at 0x0000019CADF39080, 16 bytes long.
Data: < > 20 94 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019CADF387C0, 16 bytes long.
Data: < > F8 93 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019CADF32230, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000019CADF38E00, 16 bytes long.
Data: < > D0 93 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019CADF32FB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000019CADF384A0, 16 bytes long.
Data: < > 18 93 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019CADF38B30, 16 bytes long.
Data: < > F0 92 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019CADF39120, 16 bytes long.
Data: < > C8 92 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019CADF38450, 16 bytes long.
Data: < > A0 92 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019CADF38C70, 16 bytes long.
Data: <x > 78 92 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019CADF38EA0, 16 bytes long.
Data: <P > 50 92 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019CADF38DB0, 16 bytes long.
Data: < h > E0 68 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019CADF368E0, 40 bytes long.
Data: < p > B0 8D F3 AD 9C 01 00 00 70 ED F2 AD 9C 01 00 00
{266} normal block at 0x0000019CADF38400, 16 bytes long.
Data: <0 > 30 92 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019CADF382C0, 16 bytes long.
Data: < > 08 92 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019CADF32F50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000019CADF38FE0, 16 bytes long.
Data: < > E0 91 F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019CADF391E0, 992 bytes long.
Data: < P/ > E0 8F F3 AD 9C 01 00 00 50 2F F3 AD 9C 01 00 00
{98} normal block at 0x0000019CADF322F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000019CADF2FE70, 16 bytes long.
Data: < k > F0 6B F3 AD 9C 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000019CADF36BF0, 40 bytes long.
Data: <p " > 70 FE F2 AD 9C 01 00 00 F0 22 F3 AD 9C 01 00 00
{75} normal block at 0x0000019CADF2F830, 16 bytes long.
Data: < 6 > 80 EA 36 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000019CADF2F920, 16 bytes long.
Data: <@ 6 > 40 E9 36 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000019CADF30460, 16 bytes long.
Data: < W3 > F8 57 33 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000019CADF2FD80, 16 bytes long.
Data: < W3 > D8 57 33 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019CADF2FFB0, 16 bytes long.
Data: <P 3 > 50 04 33 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019CADF305A0, 16 bytes long.
Data: <0 3 > 30 04 33 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019CADF30320, 16 bytes long.
Data: < 3 > E0 02 33 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019CADF301E0, 16 bytes long.
Data: < 3 > 10 04 33 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019CADF2F880, 16 bytes long.
Data: <p 3 > 70 04 33 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019CADF300F0, 16 bytes long.
Data: < 1 > 18 C0 31 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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