Task 38639918

Name tnks2_A15_A17_r0_5-QUICO_ATM_OpenFF23_NAGL_tnks2-2-6-RND9852_0
Workunit 31587389
Created 1 May 2026, 4:01:05 UTC
Sent 1 May 2026, 4:01:06 UTC
Report deadline 6 May 2026, 4:01:06 UTC
Received 1 May 2026, 4:25:07 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 618180
Run time 22 min 45 sec
CPU time 55 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 22,333.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 255.51 MB
Peak swap size 11.90 GB
Peak disk usage 3.72 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
23:03:23 (7532): wrapper (7.9.26016): starting
23:03:23 (7532): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A17_0.pdb
QB_A15_A17_0.xml
QB_A15_A17.inpcrd
QB_A15_A17_input.yaml
QB_A15_A17.pdb
QB_A15_A17.prmtop
QB_A15_A17_sys.xml
run.bat
run.sh
23:03:25 (7532): Library/usr/bin/tar.exe exited; CPU time 0.046875
23:03:25 (7532): 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\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 'C:\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 "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\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 "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 229, in _openmm_worker_makecontext
    self.platform = Platform.getPlatformByName(self.platform_name)
                    ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
    return _openmm.Platform_getPlatformByName(name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
23:24:00 (7532): C:/Windows/system32/cmd.exe exited; CPU time 55.062500
23:24:00 (7532): app exit status: 0x16
23:24:00 (7532): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 15643615 bytes.
Dumping objects ->
{3835241} normal block at 0x00000153EDC580B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x00000153EDC57BE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000153EDC579B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835208} normal block at 0x00000153EDC57A90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x00000153EDC57D30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835166} normal block at 0x00000153EDBDB980, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x00000153EDBE0270, 102 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) : {3835152} normal block at 0x00000153EBE6E210, 8 bytes long.
 Data: <  &#140;&#237;S   > 00 00 8C ED 53 01 00 00 
{3834554} normal block at 0x00000153EDBE01C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x00000153EBE6E2B0, 8 bytes long.
 Data: <@&#218;&#222;&#235;S   > 40 DA DE EB 53 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000153EBE767D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000153EBDF2310, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000153EBE74960, 16 bytes long.
 Data: <8<&#231;&#235;S           > 38 3C E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000153EBE74230, 16 bytes long.
 Data: < <&#231;&#235;S           > 10 3C E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000153EBE6DB30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000153EBE74B90, 16 bytes long.
 Data: <&#232;;&#231;&#235;S           > E8 3B E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000153EBE74320, 16 bytes long.
 Data: <&#192;;&#231;&#235;S           > C0 3B E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000153EBE745F0, 16 bytes long.
 Data: < ;&#231;&#235;S           > 98 3B E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000153EBE74BE0, 16 bytes long.
 Data: <p;&#231;&#235;S           > 70 3B E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000153EBE71EA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000153EBE74AF0, 16 bytes long.
 Data: < 5&#231;&#235;S           > 18 35 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000153EBE6DAD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000153EBE740A0, 16 bytes long.
 Data: <&#240;4&#231;&#235;S           > F0 34 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000153EBE73EC0, 16 bytes long.
 Data: <&#200;4&#231;&#235;S           > C8 34 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000153EBE742D0, 16 bytes long.
 Data: <&#160;4&#231;&#235;S           > A0 34 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000153EBE74820, 16 bytes long.
 Data: <x4&#231;&#235;S           > 78 34 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000153EBE74410, 16 bytes long.
 Data: <P4&#231;&#235;S           > 50 34 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000153EBE74640, 16 bytes long.
 Data: <(4&#231;&#235;S           > 28 34 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000153EBE6CF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000153EBE74280, 16 bytes long.
 Data: < 4&#231;&#235;S           > 00 34 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000153EBE73400, 320 bytes long.
 Data: < B&#231;&#235;S    &#207;&#230;&#235;S   > 80 42 E7 EB 53 01 00 00 90 CF E6 EB 53 01 00 00 
{280} normal block at 0x00000153EBE741E0, 16 bytes long.
 Data: <P;&#231;&#235;S           > 50 3B E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000153EBE744B0, 16 bytes long.
 Data: <(;&#231;&#235;S           > 28 3B E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000153EBE6DE30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000153EBE74870, 16 bytes long.
 Data: < ;&#231;&#235;S           > 00 3B E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000153EBE6D5F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000153EBE74910, 16 bytes long.
 Data: <H:&#231;&#235;S           > 48 3A E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000153EBE74730, 16 bytes long.
 Data: < :&#231;&#235;S           > 20 3A E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000153EBE74AA0, 16 bytes long.
 Data: <&#248;9&#231;&#235;S           > F8 39 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000153EBE6E9E0, 16 bytes long.
 Data: <&#208;9&#231;&#235;S           > D0 39 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000153EBE6E850, 16 bytes long.
 Data: <&#168;9&#231;&#235;S           > A8 39 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000153EBE6EAD0, 16 bytes long.
 Data: < 9&#231;&#235;S           > 80 39 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000153EBE6E7B0, 16 bytes long.
 Data: < "&#231;&#235;S           > 20 22 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000153EBE72220, 40 bytes long.
 Data: <&#176;&#231;&#230;&#235;S    &#185;&#189;&#237;S   > B0 E7 E6 EB 53 01 00 00 80 B9 BD ED 53 01 00 00 
{266} normal block at 0x00000153EBE6E6C0, 16 bytes long.
 Data: <`9&#231;&#235;S           > 60 39 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000153EBE6EF80, 16 bytes long.
 Data: <89&#231;&#235;S           > 38 39 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000153EBE6D890, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000153EBE6E530, 16 bytes long.
 Data: < 9&#231;&#235;S           > 10 39 E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000153EBE73910, 992 bytes long.
 Data: <0&#229;&#230;&#235;S    &#216;&#230;&#235;S   > 30 E5 E6 EB 53 01 00 00 90 D8 E6 EB 53 01 00 00 
{98} normal block at 0x00000153EBE6D4D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000153EBE6ECB0, 16 bytes long.
 Data: <  &#231;&#235;S           > 10 1F E7 EB 53 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000153EBE71F10, 40 bytes long.
 Data: <&#176;&#236;&#230;&#235;S   &#208;&#212;&#230;&#235;S   > B0 EC E6 EB 53 01 00 00 D0 D4 E6 EB 53 01 00 00 
{75} normal block at 0x00000153EBE6E350, 16 bytes long.
 Data: < &#234;&#254;&#184;&#247;           > 80 EA FE B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000153EBE6E260, 16 bytes long.
 Data: <@&#233;&#254;&#184;&#247;           > 40 E9 FE B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000153EBE6E3F0, 16 bytes long.
 Data: <&#248;W&#251;&#184;&#247;           > F8 57 FB B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000153EBE6E760, 16 bytes long.
 Data: <&#216;W&#251;&#184;&#247;           > D8 57 FB B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000153EBE6EC60, 16 bytes long.
 Data: <P &#251;&#184;&#247;           > 50 04 FB B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000153EBE6F110, 16 bytes long.
 Data: <0 &#251;&#184;&#247;           > 30 04 FB B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000153EBE6F020, 16 bytes long.
 Data: <&#224; &#251;&#184;&#247;           > E0 02 FB B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000153EBE6EC10, 16 bytes long.
 Data: <  &#251;&#184;&#247;           > 10 04 FB B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000153EBE6ED00, 16 bytes long.
 Data: <p &#251;&#184;&#247;           > 70 04 FB B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000153EBE6EDA0, 16 bytes long.
 Data: < &#192;&#249;&#184;&#247;           > 18 C0 F9 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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