Task 38672391

Name test_530-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND0107_0
Workunit 31614536
Created 25 Oct 2026, 23:16:52 UTC
Sent 25 Oct 2026, 23:17:01 UTC
Report deadline 30 Oct 2026, 23:17:01 UTC
Received 25 Oct 2026, 23:26:05 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652307
Run time 3 min 22 sec
CPU time 54 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 15,409.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 448.29 MB
Peak swap size 9.29 GB
Peak disk usage 3.41 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>
00:23:08 (592): wrapper (7.9.26016): starting
00:23:08 (592): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
00:23:10 (592): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:23:10 (592): 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\16\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\16\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\16\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\16\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\16\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\16\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\16\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\16\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
00:24:34 (592): C:/Windows/system32/cmd.exe exited; CPU time 54.343750
00:24:34 (592): app exit status: 0x16
00:24:34 (592): 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: 1162969 bytes.
Dumping objects ->
{3835372} normal block at 0x0000026B0C715C10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835361} normal block at 0x0000026B0C715CF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x0000026B0C715A50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835339} normal block at 0x0000026B0C7159E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835328} normal block at 0x0000026B0C715BA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835297} normal block at 0x0000026B0E4A7B30, 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) : {3835284} normal block at 0x0000026B0C70E690, 8 bytes long.
 Data: <  m k   > 00 00 6D 0C 6B 02 00 00 
{3833953} normal block at 0x0000026B0C70E550, 8 bytes long.
 Data: <&#160;&#135;O k   > A0 87 4F 0E 6B 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000026B0C7106B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026B0C7054A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000026B0C7145E0, 16 bytes long.
 Data: <&#248;Uq k           > F8 55 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026B0C715120, 16 bytes long.
 Data: <&#208;Uq k           > D0 55 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026B0C70F3A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000026B0C7150D0, 16 bytes long.
 Data: <&#168;Uq k           > A8 55 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026B0C714B80, 16 bytes long.
 Data: < Uq k           > 80 55 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026B0C7151C0, 16 bytes long.
 Data: <XUq k           > 58 55 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026B0C714810, 16 bytes long.
 Data: <0Uq k           > 30 55 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026B0C715740, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000026B0C714C70, 16 bytes long.
 Data: <8&#218;p k           > 38 DA 70 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026B0C70F280, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000026B0C714860, 16 bytes long.
 Data: < &#218;p k           > 10 DA 70 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026B0C715080, 16 bytes long.
 Data: <&#232;&#217;p k           > E8 D9 70 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026B0C714720, 16 bytes long.
 Data: <&#192;&#217;p k           > C0 D9 70 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026B0C714E00, 16 bytes long.
 Data: < &#217;p k           > 98 D9 70 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026B0C714770, 16 bytes long.
 Data: <p&#217;p k           > 70 D9 70 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026B0C7147C0, 16 bytes long.
 Data: <H&#217;p k           > 48 D9 70 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026B0C70ED40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000026B0C7144F0, 16 bytes long.
 Data: < &#217;p k           > 20 D9 70 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026B0C70D920, 320 bytes long.
 Data: <&#240;Dq k   @&#237;p k   > F0 44 71 0C 6B 02 00 00 40 ED 70 0C 6B 02 00 00 
{272} normal block at 0x0000026B0C714400, 16 bytes long.
 Data: < Uq k           > 10 55 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026B0C714B30, 16 bytes long.
 Data: <&#232;Tq k           > E8 54 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026B0C70F760, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000026B0C714F90, 16 bytes long.
 Data: <&#192;Tq k           > C0 54 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026B0C70EE00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000026B0C714590, 16 bytes long.
 Data: < Tq k           > 08 54 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026B0C714F40, 16 bytes long.
 Data: <&#224;Sq k           > E0 53 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026B0C715030, 16 bytes long.
 Data: <&#184;Sq k           > B8 53 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026B0C714EF0, 16 bytes long.
 Data: < Sq k           > 90 53 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026B0C714A40, 16 bytes long.
 Data: <hSq k           > 68 53 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026B0C714680, 16 bytes long.
 Data: <@Sq k           > 40 53 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026B0C714540, 16 bytes long.
 Data: <0&#210;o k           > 30 D2 6F 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026B0C6FD230, 40 bytes long.
 Data: <@Eq k   0{J k   > 40 45 71 0C 6B 02 00 00 30 7B 4A 0E 6B 02 00 00 
{258} normal block at 0x0000026B0C714630, 16 bytes long.
 Data: < Sq k           > 20 53 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026B0C7144A0, 16 bytes long.
 Data: <&#248;Rq k           > F8 52 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026B0C70ECE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000026B0C7146D0, 16 bytes long.
 Data: <&#208;Rq k           > D0 52 71 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000026B0C7152D0, 992 bytes long.
 Data: <&#208;Fq k   &#224;&#236;p k   > D0 46 71 0C 6B 02 00 00 E0 EC 70 0C 6B 02 00 00 
{90} normal block at 0x0000026B0C70F4C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000026B0C70DE20, 16 bytes long.
 Data: <@&#198;o k           > 40 C6 6F 0C 6B 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000026B0C6FC640, 40 bytes long.
 Data: < &#222;p k   &#192;&#244;p k   > 20 DE 70 0C 6B 02 00 00 C0 F4 70 0C 6B 02 00 00 
{67} normal block at 0x0000026B0C70E6E0, 16 bytes long.
 Data: < &#234;k&#210;&#247;           > 80 EA 6B D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026B0C70DDD0, 16 bytes long.
 Data: <@&#233;k&#210;&#247;           > 40 E9 6B D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026B0C70DD80, 16 bytes long.
 Data: <&#248;Wh&#210;&#247;           > F8 57 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026B0C70DE70, 16 bytes long.
 Data: <&#216;Wh&#210;&#247;           > D8 57 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026B0C70DB50, 16 bytes long.
 Data: <P h&#210;&#247;           > 50 04 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026B0C70E730, 16 bytes long.
 Data: <0 h&#210;&#247;           > 30 04 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026B0C70DD30, 16 bytes long.
 Data: <&#224; h&#210;&#247;           > E0 02 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026B0C70DEC0, 16 bytes long.
 Data: <  h&#210;&#247;           > 10 04 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026B0C70E140, 16 bytes long.
 Data: <p h&#210;&#247;           > 70 04 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000026B0C70DC90, 16 bytes long.
 Data: < &#192;f&#210;&#247;           > 18 C0 66 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra