Task 38666488

Name test_960-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND7502_3
Workunit 31609192
Created 25 Oct 2026, 3:28:17 UTC
Sent 25 Oct 2026, 3:47:16 UTC
Report deadline 30 Oct 2026, 3:47:16 UTC
Received 25 Oct 2026, 4:04:02 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 33 sec
CPU time 51 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 421.89 MB
Peak swap size 4.76 GB
Peak disk usage 3.02 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>
04:00:50 (3012): wrapper (7.9.26016): starting
04:00:50 (3012): 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
04:00:52 (3012): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:00:52 (3012): 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
04:02:32 (3012): C:/Windows/system32/cmd.exe exited; CPU time 51.046875
04:02:32 (3012): app exit status: 0x16
04:02:32 (3012): 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: 1327389 bytes.
Dumping objects ->
{3835181} normal block at 0x000001A341506680, 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 0x000001A341506450, 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 0x000001A3415067D0, 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 0x000001A341506220, 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 0x000001A3415066F0, 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 0x000001A3431D6690, 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 0x000001A3414D7520, 8 bytes long.
 Data: <  GA&#163;   > 00 00 47 41 A3 01 00 00 
{3833951} normal block at 0x000001A3414D7160, 8 bytes long.
 Data: <&#192;7#C&#163;   > C0 37 23 43 A3 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001A3414E14F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A3414CBC20, 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 0x000001A3414E2A30, 16 bytes long.
 Data: <&#216;<NA&#163;           > D8 3C 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A3414E24E0, 16 bytes long.
 Data: <&#176;<NA&#163;           > B0 3C 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A3414DCDE0, 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 0x000001A3414E2490, 16 bytes long.
 Data: < <NA&#163;           > 88 3C 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A3414E2F80, 16 bytes long.
 Data: <`<NA&#163;           > 60 3C 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A3414E2EE0, 16 bytes long.
 Data: <8<NA&#163;           > 38 3C 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A3414E2F30, 16 bytes long.
 Data: < <NA&#163;           > 10 3C 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A3414DBB90, 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 0x000001A3414E2E40, 16 bytes long.
 Data: <8&#201;MA&#163;           > 38 C9 4D 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A3414DD440, 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 0x000001A3414E29E0, 16 bytes long.
 Data: < &#201;MA&#163;           > 10 C9 4D 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A3414E2C10, 16 bytes long.
 Data: <&#232;&#200;MA&#163;           > E8 C8 4D 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A3414E3340, 16 bytes long.
 Data: <&#192;&#200;MA&#163;           > C0 C8 4D 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A3414E2DF0, 16 bytes long.
 Data: < &#200;MA&#163;           > 98 C8 4D 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A3414E30C0, 16 bytes long.
 Data: <p&#200;MA&#163;           > 70 C8 4D 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A3414E3250, 16 bytes long.
 Data: <H&#200;MA&#163;           > 48 C8 4D 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A3414DD500, 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 0x000001A3414E2DA0, 16 bytes long.
 Data: < &#200;MA&#163;           > 20 C8 4D 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A3414DC820, 320 bytes long.
 Data: <&#160;-NA&#163;    &#213;MA&#163;   > A0 2D 4E 41 A3 01 00 00 00 D5 4D 41 A3 01 00 00 
{271} normal block at 0x000001A3414E32F0, 16 bytes long.
 Data: <&#240;;NA&#163;           > F0 3B 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A3414E2CB0, 16 bytes long.
 Data: <&#200;;NA&#163;           > C8 3B 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A3414DD380, 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 0x000001A3414E2940, 16 bytes long.
 Data: <&#160;;NA&#163;           > A0 3B 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A3414DD320, 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 0x000001A3414E2E90, 16 bytes long.
 Data: <&#232;:NA&#163;           > E8 3A 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A3414E28F0, 16 bytes long.
 Data: <&#192;:NA&#163;           > C0 3A 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A3414E2D50, 16 bytes long.
 Data: < :NA&#163;           > 98 3A 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A3414E2760, 16 bytes long.
 Data: <p:NA&#163;           > 70 3A 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A3414E2710, 16 bytes long.
 Data: <H:NA&#163;           > 48 3A 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A3414E3200, 16 bytes long.
 Data: < :NA&#163;           > 20 3A 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A3414E2850, 16 bytes long.
 Data: <@&#186;MA&#163;           > 40 BA 4D 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A3414DBA40, 40 bytes long.
 Data: <P(NA&#163;    f C&#163;   > 50 28 4E 41 A3 01 00 00 90 66 1D 43 A3 01 00 00 
{257} normal block at 0x000001A3414E26C0, 16 bytes long.
 Data: < :NA&#163;           > 00 3A 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A3414E2990, 16 bytes long.
 Data: <&#216;9NA&#163;           > D8 39 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A3414DD2C0, 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 0x000001A3414E2FD0, 16 bytes long.
 Data: <&#176;9NA&#163;           > B0 39 4E 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001A3414E39B0, 992 bytes long.
 Data: <&#208;/NA&#163;   &#192;&#210;MA&#163;   > D0 2F 4E 41 A3 01 00 00 C0 D2 4D 41 A3 01 00 00 
{89} normal block at 0x000001A3414DCD80, 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 0x000001A3414D6B70, 16 bytes long.
 Data: <&#192;&#182;MA&#163;           > C0 B6 4D 41 A3 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001A3414DB6C0, 40 bytes long.
 Data: <pkMA&#163;    &#205;MA&#163;   > 70 6B 4D 41 A3 01 00 00 80 CD 4D 41 A3 01 00 00 
{66} normal block at 0x000001A3414D67B0, 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 0x000001A3414D76B0, 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 0x000001A3414D7110, 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 0x000001A3414D75C0, 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 0x000001A3414D6D50, 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 0x000001A3414D6CB0, 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 0x000001A3414D6BC0, 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 0x000001A3414D70C0, 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 0x000001A3414D7070, 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 0x000001A3414D7340, 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