Task 38615765
| Name | HIF2A_2_A18_A08_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a_2-1-6-RND0388_0 |
| Workunit | 31568036 |
| Created | 17 Apr 2026, 17:14:12 UTC |
| Sent | 17 Apr 2026, 17:52:04 UTC |
| Report deadline | 22 Apr 2026, 17:52:04 UTC |
| Received | 17 Apr 2026, 18:03:17 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652086 |
| Run time | 2 min 34 sec |
| CPU time | 33 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 11,856.45 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 222.06 MB |
| Peak swap size | 4.56 GB |
| Peak disk usage | 1.46 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
20:00:18 (4784): wrapper (7.9.26016): starting
20:00:18 (4784): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A08_0.pdb
QB_A18_A08_0.xml
QB_A18_A08.inpcrd
QB_A18_A08_input.yaml
QB_A18_A08.pdb
QB_A18_A08.prmtop
QB_A18_A08_sys.xml
run.bat
run.sh
20:00:19 (4784): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:00:19 (4784): 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\13\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\13\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\13\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\13\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\13\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\13\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\13\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\13\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_INVALID_VALUE (1) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
20:01:16 (4784): C:/Windows/system32/cmd.exe exited; CPU time 33.921875
20:01:16 (4784): app exit status: 0x16
20:01:16 (4784): 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: 535905 bytes.
Dumping objects ->
{3835261} normal block at 0x0000016133B05CE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x0000016133B05030, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x0000016133B05730, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835228} normal block at 0x0000016133B05C00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835217} normal block at 0x0000016133B05340, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835186} normal block at 0x00000161356CACC0, 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) : {3835173} normal block at 0x0000016133AD6050, 8 bytes long.
Data: < ª3a > 00 00 AA 33 61 01 00 00
{3833947} normal block at 0x0000016133AD5600, 8 bytes long.
Data: <  ®3a > A0 16 AE 33 61 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000016133AE0AF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016133AC5BE0, 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 0x0000016133AE1BD0, 16 bytes long.
Data: <h.®3a > 68 2E AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016133AE2AD0, 16 bytes long.
Data: <@.®3a > 40 2E AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000016133ADC8A0, 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 0x0000016133AE2A30, 16 bytes long.
Data: < .®3a > 18 2E AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000016133AE2580, 16 bytes long.
Data: <ð-®3a > F0 2D AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016133AE29E0, 16 bytes long.
Data: <È-®3a > C8 2D AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016133AE2990, 16 bytes long.
Data: < -®3a > A0 2D AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016133ADD7C0, 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 0x0000016133AE28F0, 16 bytes long.
Data: <x[¬3a > 78 5B AC 33 61 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000016133ADC780, 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 0x0000016133AE2A80, 16 bytes long.
Data: <P[¬3a > 50 5B AC 33 61 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000016133AE2210, 16 bytes long.
Data: <([¬3a > 28 5B AC 33 61 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016133AE2940, 16 bytes long.
Data: < [¬3a > 00 5B AC 33 61 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016133AE2260, 16 bytes long.
Data: <ØZ¬3a > D8 5A AC 33 61 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016133AE2120, 16 bytes long.
Data: <°Z¬3a > B0 5A AC 33 61 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016133AE27B0, 16 bytes long.
Data: < Z¬3a > 88 5A AC 33 61 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000016133ADC720, 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 0x0000016133AE2670, 16 bytes long.
Data: <`Z¬3a > 60 5A AC 33 61 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000016133AC5A60, 320 bytes long.
Data: <p&®3a Ç­3a > 70 26 AE 33 61 01 00 00 20 C7 AD 33 61 01 00 00
{269} normal block at 0x0000016133AE1B80, 16 bytes long.
Data: < -®3a > 80 2D AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016133AE28A0, 16 bytes long.
Data: <X-®3a > 58 2D AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016133ADC660, 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 0x0000016133AE2760, 16 bytes long.
Data: <0-®3a > 30 2D AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016133ADCFC0, 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 0x0000016133AE21C0, 16 bytes long.
Data: <x,®3a > 78 2C AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000016133AE24E0, 16 bytes long.
Data: <P,®3a > 50 2C AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016133AE2300, 16 bytes long.
Data: <(,®3a > 28 2C AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000016133AE2030, 16 bytes long.
Data: < ,®3a > 00 2C AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016133AE26C0, 16 bytes long.
Data: <Ø+®3a > D8 2B AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000016133AE25D0, 16 bytes long.
Data: <°+®3a > B0 2B AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000016133AE1F90, 16 bytes long.
Data: <àÖ­3a > E0 D6 AD 33 61 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000016133ADD6E0, 40 bytes long.
Data: < ®3a À¬l5a > 90 1F AE 33 61 01 00 00 C0 AC 6C 35 61 01 00 00
{255} normal block at 0x0000016133AE2490, 16 bytes long.
Data: < +®3a > 90 2B AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000016133AE20D0, 16 bytes long.
Data: <h+®3a > 68 2B AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000016133ADCAE0, 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 0x0000016133AE1EA0, 16 bytes long.
Data: <@+®3a > 40 2B AE 33 61 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000016133AE2B40, 992 bytes long.
Data: <  ®3a àÊ­3a > A0 1E AE 33 61 01 00 00 E0 CA AD 33 61 01 00 00
{87} normal block at 0x0000016133ADC840, 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 0x0000016133AD5DD0, 16 bytes long.
Data: <P×­3a > 50 D7 AD 33 61 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000016133ADD750, 40 bytes long.
Data: <Ð]­3a @È­3a > D0 5D AD 33 61 01 00 00 40 C8 AD 33 61 01 00 00
{64} normal block at 0x0000016133AD53D0, 16 bytes long.
Data: < êS ö > 80 EA 53 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000016133AD6140, 16 bytes long.
Data: <@éS ö > 40 E9 53 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000016133AD5B00, 16 bytes long.
Data: <øWP ö > F8 57 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000016133AD5790, 16 bytes long.
Data: <ØWP ö > D8 57 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000016133AD6000, 16 bytes long.
Data: <P P ö > 50 04 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000016133AD5650, 16 bytes long.
Data: <0 P ö > 30 04 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000016133AD5380, 16 bytes long.
Data: <à P ö > E0 02 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000016133AD5FB0, 16 bytes long.
Data: < P ö > 10 04 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000016133AD5970, 16 bytes long.
Data: <p P ö > 70 04 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000016133AD60F0, 16 bytes long.
Data: < ÀN ö > 18 C0 4E 0C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra