Task 38616523
| Name | hif2a_A27_A10_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a-3-6-RND3252_0 |
| Workunit | 31568382 |
| Created | 17 Apr 2026, 21:09:38 UTC |
| Sent | 17 Apr 2026, 21:09:53 UTC |
| Report deadline | 22 Apr 2026, 21:09:53 UTC |
| Received | 17 Apr 2026, 21:23:36 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 607118 |
| Run time | 1 min 2 sec |
| CPU time | 23 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 10,692.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 197.20 MB |
| Peak swap size | 9.04 GB |
| Peak disk usage | 2.78 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
00:20:02 (8808): wrapper (7.9.26016): starting
00:20:02 (8808): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A10_0.pdb
QB_A27_A10_0.xml
QB_A27_A10.inpcrd
QB_A27_A10_input.yaml
QB_A27_A10.pdb
QB_A27_A10.prmtop
QB_A27_A10_sys.xml
run.bat
run.sh
00:20:04 (8808): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:20:04 (8808): 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: Error initializing CUDA: CUDA_ERROR_NO_DEVICE (100) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
00:21:16 (8808): C:/Windows/system32/cmd.exe exited; CPU time 23.281250
00:21:16 (8808): app exit status: 0x16
00:21:16 (8808): called boinc_finish(195)
0 bytes in 0 Free Blocks.
616 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: 782093 bytes.
Dumping objects ->
{3835309} normal block at 0x000002D0AC801640, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x000002D0AC801560, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x000002D0AC801330, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835276} normal block at 0x000002D0AC800D80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000002D0AC801250, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835234} normal block at 0x000002D0AC8F1C60, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x000002D0AC981FB0, 180 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) : {3835220} normal block at 0x000002D0AACE70F0, 8 bytes long.
Data: < W¬Ð > 00 00 57 AC D0 02 00 00
{3834574} normal block at 0x000002D0AC981EC0, 180 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 0x000002D0AACE7550, 8 bytes long.
Data: <P •¬Ð > 50 14 95 AC D0 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002D0AACF1FC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002D0AACDB3B0, 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 0x000002D0AACF3C30, 16 bytes long.
Data: <8CϪР> 38 43 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002D0AACF3050, 16 bytes long.
Data: < CϪР> 10 43 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002D0AACEE690, 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 0x000002D0AACF3E60, 16 bytes long.
Data: <èBϪР> E8 42 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002D0AACF3410, 16 bytes long.
Data: <ÀBϪР> C0 42 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002D0AACF3E10, 16 bytes long.
Data: < BϪР> 98 42 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002D0AACF3A00, 16 bytes long.
Data: <pBϪР> 70 42 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D0AACEC290, 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 0x000002D0AACF3910, 16 bytes long.
Data: <¸ªÍªÐ > B8 AA CD AA D0 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002D0AACEE810, 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 0x000002D0AACF38C0, 16 bytes long.
Data: <ªÍªÐ > 90 AA CD AA D0 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D0AACF3DC0, 16 bytes long.
Data: <hªÍªÐ > 68 AA CD AA D0 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002D0AACF3870, 16 bytes long.
Data: <@ªÍªÐ > 40 AA CD AA D0 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002D0AACF3D70, 16 bytes long.
Data: < ªÍªÐ > 18 AA CD AA D0 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002D0AACF35A0, 16 bytes long.
Data: <ð©ÍªÐ > F0 A9 CD AA D0 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002D0AACF3BE0, 16 bytes long.
Data: <ȩͪР> C8 A9 CD AA D0 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D0AACEEE70, 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 0x000002D0AACF3230, 16 bytes long.
Data: < ©ÍªÐ > A0 A9 CD AA D0 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D0AACDA9A0, 320 bytes long.
Data: <02ϪРpîΪР> 30 32 CF AA D0 02 00 00 70 EE CE AA D0 02 00 00
{269} normal block at 0x000002D0AACF30A0, 16 bytes long.
Data: <PBϪР> 50 42 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002D0AACF3AF0, 16 bytes long.
Data: <(BϪР> 28 42 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002D0AACEE5D0, 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 0x000002D0AACF3FA0, 16 bytes long.
Data: < BϪР> 00 42 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002D0AACEEF90, 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 0x000002D0AACF33C0, 16 bytes long.
Data: <HAϪР> 48 41 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002D0AACF3F50, 16 bytes long.
Data: < AϪР> 20 41 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002D0AACF3C80, 16 bytes long.
Data: <ø@ϪР> F8 40 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002D0AACF3500, 16 bytes long.
Data: <Ð@ϪР> D0 40 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002D0AACF3B40, 16 bytes long.
Data: <¨@ϪР> A8 40 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002D0AACF3320, 16 bytes long.
Data: <€@ϪР> 80 40 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002D0AACF3D20, 16 bytes long.
Data: <0¾ÎªÐ > 30 BE CE AA D0 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002D0AACEBE30, 40 bytes long.
Data: < =ϪР` ¬Ð > 20 3D CF AA D0 02 00 00 60 1C 8F AC D0 02 00 00
{255} normal block at 0x000002D0AACF37D0, 16 bytes long.
Data: <`@ϪР> 60 40 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002D0AACF3820, 16 bytes long.
Data: <8@ϪР> 38 40 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002D0AACEE510, 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 0x000002D0AACF3780, 16 bytes long.
Data: < @ϪР> 10 40 CF AA D0 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000002D0AACF4010, 992 bytes long.
Data: <€7ϪРåΪР> 80 37 CF AA D0 02 00 00 10 E5 CE AA D0 02 00 00
{87} normal block at 0x000002D0AACEE4B0, 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 0x000002D0AACE76E0, 16 bytes long.
Data: <@ÁΪР> 40 C1 CE AA D0 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000002D0AACEC140, 40 bytes long.
Data: <àvΪР°äΪР> E0 76 CE AA D0 02 00 00 B0 E4 CE AA D0 02 00 00
{64} normal block at 0x000002D0AACE7410, 16 bytes long.
Data: <€ê,'ö > 80 EA 2C 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002D0AACE7050, 16 bytes long.
Data: <@é,'ö > 40 E9 2C 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002D0AACE7DC0, 16 bytes long.
Data: <øW)'ö > F8 57 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002D0AACE7280, 16 bytes long.
Data: <ØW)'ö > D8 57 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002D0AACE7E60, 16 bytes long.
Data: <P )'ö > 50 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002D0AACE7730, 16 bytes long.
Data: <0 )'ö > 30 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002D0AACE7C30, 16 bytes long.
Data: <à )'ö > E0 02 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002D0AACE7BE0, 16 bytes long.
Data: < )'ö > 10 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002D0AACE7CD0, 16 bytes long.
Data: <p )'ö > 70 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002D0AACE7370, 16 bytes long.
Data: < À''ö > 18 C0 27 27 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra