Task 38667271

Name test_638-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND8078_1
Workunit 31609891
Created 25 Oct 2026, 7:09:14 UTC
Sent 25 Oct 2026, 7:09:26 UTC
Report deadline 30 Oct 2026, 7:09:26 UTC
Received 25 Oct 2026, 7:14:40 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652570
Run time 3 min 35 sec
CPU time 49 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,454.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 518.14 MB
Peak swap size 4.86 GB
Peak disk usage 2.84 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
07:11:38 (15520): wrapper (7.9.26016): starting
07:11:38 (15520): 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
07:11:40 (15520): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:11:40 (15520): 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 'E:\ProgramData\BOINC\slots\0\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 'E:\ProgramData\BOINC\slots\0\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 "E:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "E:\ProgramData\BOINC\slots\0\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 "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "E:\ProgramData\BOINC\slots\0\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 "E:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
    self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
                   ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\ProgramData\BOINC\slots\0\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
07:13:22 (15520): C:/Windows/system32/cmd.exe exited; CPU time 49.609375
07:13:22 (15520): app exit status: 0x16
07:13:22 (15520): 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: 1330687 bytes.
Dumping objects ->
{3835181} normal block at 0x000001EE63665DA0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x000001EE63666350, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x000001EE63665D30, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835148} normal block at 0x000001EE63666270, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000001EE636666D0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835106} normal block at 0x000001EE6513B7E0, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835093} normal block at 0x000001EE63636EB0, 8 bytes long.
 Data: <  ^c&#238;   > 00 00 5E 63 EE 01 00 00 
{3833951} normal block at 0x000001EE63636780, 8 bytes long.
 Data: <&#240;] e&#238;   > F0 5D 1D 65 EE 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001EE636412F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EE6363C660, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001EE63642BA0, 16 bytes long.
 Data: <&#232;7dc&#238;           > E8 37 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EE63642970, 16 bytes long.
 Data: <&#192;7dc&#238;           > C0 37 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EE6363C9E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001EE63642E70, 16 bytes long.
 Data: < 7dc&#238;           > 98 37 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EE63642920, 16 bytes long.
 Data: <p7dc&#238;           > 70 37 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EE636428D0, 16 bytes long.
 Data: <H7dc&#238;           > 48 37 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EE63642380, 16 bytes long.
 Data: < 7dc&#238;           > 20 37 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EE6363B460, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001EE636426F0, 16 bytes long.
 Data: <&#248;&#197;cc&#238;           > F8 C5 63 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EE6363CF80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001EE63642E20, 16 bytes long.
 Data: <&#208;&#197;cc&#238;           > D0 C5 63 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EE636426A0, 16 bytes long.
 Data: <&#168;&#197;cc&#238;           > A8 C5 63 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EE63642290, 16 bytes long.
 Data: < &#197;cc&#238;           > 80 C5 63 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EE63642A60, 16 bytes long.
 Data: <X&#197;cc&#238;           > 58 C5 63 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EE63642650, 16 bytes long.
 Data: <0&#197;cc&#238;           > 30 C5 63 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EE63642B00, 16 bytes long.
 Data: < &#197;cc&#238;           > 08 C5 63 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EE6363CC20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001EE636427E0, 16 bytes long.
 Data: <&#224;&#196;cc&#238;           > E0 C4 63 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EE6363C4E0, 320 bytes long.
 Data: <&#224;'dc&#238;    &#204;cc&#238;   > E0 27 64 63 EE 01 00 00 20 CC 63 63 EE 01 00 00 
{271} normal block at 0x000001EE636425B0, 16 bytes long.
 Data: < 7dc&#238;           > 00 37 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EE63642330, 16 bytes long.
 Data: <&#216;6dc&#238;           > D8 36 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EE6363CB60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001EE63642DD0, 16 bytes long.
 Data: <&#176;6dc&#238;           > B0 36 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EE6363CBC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001EE63642830, 16 bytes long.
 Data: <&#248;5dc&#238;           > F8 35 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EE63642560, 16 bytes long.
 Data: <&#208;5dc&#238;           > D0 35 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EE63642420, 16 bytes long.
 Data: <&#168;5dc&#238;           > A8 35 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EE63642240, 16 bytes long.
 Data: < 5dc&#238;           > 80 35 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EE63642790, 16 bytes long.
 Data: <X5dc&#238;           > 58 35 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EE63642600, 16 bytes long.
 Data: <05dc&#238;           > 30 35 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EE63642510, 16 bytes long.
 Data: <p&#183;cc&#238;           > 70 B7 63 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EE6363B770, 40 bytes long.
 Data: < %dc&#238;   &#224;&#183; e&#238;   > 10 25 64 63 EE 01 00 00 E0 B7 13 65 EE 01 00 00 
{257} normal block at 0x000001EE636421F0, 16 bytes long.
 Data: < 5dc&#238;           > 10 35 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EE636429C0, 16 bytes long.
 Data: <&#232;4dc&#238;           > E8 34 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EE6363D5E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001EE636421A0, 16 bytes long.
 Data: <&#192;4dc&#238;           > C0 34 64 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001EE636434C0, 992 bytes long.
 Data: <&#160;!dc&#238;   &#224;&#213;cc&#238;   > A0 21 64 63 EE 01 00 00 E0 D5 63 63 EE 01 00 00 
{89} normal block at 0x000001EE6363D4C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001EE636370E0, 16 bytes long.
 Data: <@&#181;cc&#238;           > 40 B5 63 63 EE 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001EE6363B540, 40 bytes long.
 Data: <&#224;pcc&#238;   &#192;&#212;cc&#238;   > E0 70 63 63 EE 01 00 00 C0 D4 63 63 EE 01 00 00 
{66} normal block at 0x000001EE63636C80, 16 bytes long.
 Data: < &#234;q&#253;&#246;           > 80 EA 71 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EE636374F0, 16 bytes long.
 Data: <@&#233;q&#253;&#246;           > 40 E9 71 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EE63636D70, 16 bytes long.
 Data: <&#248;Wn&#253;&#246;           > F8 57 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EE636365A0, 16 bytes long.
 Data: <&#216;Wn&#253;&#246;           > D8 57 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EE63636C30, 16 bytes long.
 Data: <P n&#253;&#246;           > 50 04 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EE636374A0, 16 bytes long.
 Data: <0 n&#253;&#246;           > 30 04 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EE63637040, 16 bytes long.
 Data: <&#224; n&#253;&#246;           > E0 02 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EE63636910, 16 bytes long.
 Data: <  n&#253;&#246;           > 10 04 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001EE63636B40, 16 bytes long.
 Data: <p n&#253;&#246;           > 70 04 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001EE63636AA0, 16 bytes long.
 Data: < &#192;l&#253;&#246;           > 18 C0 6C FD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra