Task 38617596

Name TYK2_A04_A05_r0_3-QUICO_ATM_OpenFF_TYK2-1-6-RND2198_3
Workunit 31566317
Created 18 Apr 2026, 5:43:00 UTC
Sent 18 Apr 2026, 5:43:09 UTC
Report deadline 23 Apr 2026, 5:43:09 UTC
Received 18 Apr 2026, 5:53:12 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652138
Run time 2 min 6 sec
CPU time 34 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 22,071.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 349.57 MB
Peak swap size 10.49 GB
Peak disk usage 2.84 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
���̃I�y���[�e�B���O �V�X�e���ł� (null) �͎��s����܂���B
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:50:29 (8436): wrapper (7.9.26016): starting
14:50:29 (8436): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A05_0.pdb
QB_A04_A05_0.xml
QB_A04_A05.inpcrd
QB_A04_A05_input.yaml
QB_A04_A05.pdb
QB_A04_A05.prmtop
QB_A04_A05_sys.xml
run.bat
run.sh
14:50:32 (8436): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:50:32 (8436): 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 'F:\BOINC\BOINC&#131;f&#129;[&#131;^\slots\1\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 'F:\BOINC\BOINC&#131;f&#129;[&#131;^\slots\1\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 "F:\BOINC\BOINC&#131;f&#129;[&#131;^\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "F:\BOINC\BOINC&#131;f&#129;[&#131;^\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "F:\BOINC\BOINC&#131;f&#129;[&#131;^\slots\1\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 "F:\BOINC\BOINC&#131;f&#129;[&#131;^\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "F:\BOINC\BOINC&#131;f&#129;[&#131;^\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "F:\BOINC\BOINC&#131;f&#129;[&#131;^\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 229, in _openmm_worker_makecontext
    self.platform = Platform.getPlatformByName(self.platform_name)
                    ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "F:\BOINC\BOINC&#131;f&#129;[&#131;^\slots\1\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
    return _openmm.Platform_getPlatformByName(name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
14:51:37 (8436): C:/Windows/system32/cmd.exe exited; CPU time 34.703125
14:51:37 (8436): app exit status: 0x16
14:51:37 (8436): 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: 1183039 bytes.
Dumping objects ->
{3835376} normal block at 0x000002BD5BC90920, 48 bytes long.
 Data: <PATH=F:\BOINC\BO> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F 
{3835365} normal block at 0x000002BD5BC915D0, 48 bytes long.
 Data: <HOME=F:\BOINC\BO> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F 
{3835354} normal block at 0x000002BD5BC90DF0, 48 bytes long.
 Data: <TMP=F:\BOINC\BOI> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F 49 
{3835343} normal block at 0x000002BD5BC91480, 48 bytes long.
 Data: <TEMP=F:\BOINC\BO> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F 
{3835332} normal block at 0x000002BD5BC907D0, 48 bytes long.
 Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C 
{3835301} normal block at 0x000002BD5BDD9E60, 64 bytes long.
 Data: <PATH=F:\BOINC\BO> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F 
..\api\boinc_api.cpp(309) : {3835288} normal block at 0x000002BD59D0D560, 8 bytes long.
 Data: <  &#206;Y&#189;   > 00 00 CE 59 BD 02 00 00 
{3834045} normal block at 0x000002BD59D0DA60, 8 bytes long.
 Data: < x&#211;[&#189;   > F0 78 D3 5B BD 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002BD59D07540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002BD59D05EF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002BD59D19720, 16 bytes long.
 Data: <&#200;&#163;&#209;Y&#189;           > C8 A3 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BD59D19EA0, 16 bytes long.
 Data: < &#163;&#209;Y&#189;           > A0 A3 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002BD59D15CD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002BD59D19590, 16 bytes long.
 Data: <x&#163;&#209;Y&#189;           > 78 A3 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BD59D194A0, 16 bytes long.
 Data: <P&#163;&#209;Y&#189;           > 50 A3 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002BD59D19E50, 16 bytes long.
 Data: <(&#163;&#209;Y&#189;           > 28 A3 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002BD59D19450, 16 bytes long.
 Data: < &#163;&#209;Y&#189;           > 00 A3 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002BD59D13AD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002BD59D19E00, 16 bytes long.
 Data: < L&#208;Y&#189;           > 18 4C D0 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BD59D154F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002BD59D19540, 16 bytes long.
 Data: < K&#208;Y&#189;           > F0 4B D0 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BD59D193B0, 16 bytes long.
 Data: <&#200;K&#208;Y&#189;           > C8 4B D0 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002BD59D19C70, 16 bytes long.
 Data: < K&#208;Y&#189;           > A0 4B D0 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BD59D19270, 16 bytes long.
 Data: <xK&#208;Y&#189;           > 78 4B D0 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002BD59D19D60, 16 bytes long.
 Data: <PK&#208;Y&#189;           > 50 4B D0 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BD59D19F90, 16 bytes long.
 Data: <(K&#208;Y&#189;           > 28 4B D0 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002BD59D15F10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000002BD59D19C20, 16 bytes long.
 Data: < K&#208;Y&#189;           > 00 4B D0 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BD59D04B00, 320 bytes long.
 Data: <  &#209;Y&#189;    _&#209;Y&#189;   > 20 9C D1 59 BD 02 00 00 10 5F D1 59 BD 02 00 00 
{273} normal block at 0x000002BD59D19B80, 16 bytes long.
 Data: < &#162;&#209;Y&#189;           > E0 A2 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BD59D19360, 16 bytes long.
 Data: <&#184;&#162;&#209;Y&#189;           > B8 A2 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002BD59D15250, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002BD59D19900, 16 bytes long.
 Data: < &#162;&#209;Y&#189;           > 90 A2 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BD59D15C70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002BD59D19220, 16 bytes long.
 Data: <&#216;&#161;&#209;Y&#189;           > D8 A1 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002BD59D191D0, 16 bytes long.
 Data: <&#176;&#161;&#209;Y&#189;           > B0 A1 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BD59D19180, 16 bytes long.
 Data: < &#161;&#209;Y&#189;           > 88 A1 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002BD59D194F0, 16 bytes long.
 Data: <`&#161;&#209;Y&#189;           > 60 A1 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BD59D19130, 16 bytes long.
 Data: <8&#161;&#209;Y&#189;           > 38 A1 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BD59D19810, 16 bytes long.
 Data: < &#161;&#209;Y&#189;           > 10 A1 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002BD59D19400, 16 bytes long.
 Data: < 6&#209;Y&#189;           > E0 36 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002BD59D136E0, 40 bytes long.
 Data: <  &#209;Y&#189;   ` &#221;[&#189;   > 00 94 D1 59 BD 02 00 00 60 9E DD 5B BD 02 00 00 
{259} normal block at 0x000002BD59D19860, 16 bytes long.
 Data: <  &#209;Y&#189;           > F0 A0 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BD59D19950, 16 bytes long.
 Data: <&#200; &#209;Y&#189;           > C8 A0 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002BD59D15910, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002BD59D19B30, 16 bytes long.
 Data: <  &#209;Y&#189;           > A0 A0 D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002BD59D1A0A0, 992 bytes long.
 Data: <0 &#209;Y&#189;    Y&#209;Y&#189;   > 30 9B D1 59 BD 02 00 00 10 59 D1 59 BD 02 00 00 
{91} normal block at 0x000002BD59D15E50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002BD59D0D510, 16 bytes long.
 Data: <p=&#209;Y&#189;           > 70 3D D1 59 BD 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002BD59D13D70, 40 bytes long.
 Data: < &#213;&#208;Y&#189;   P^&#209;Y&#189;   > 10 D5 D0 59 BD 02 00 00 50 5E D1 59 BD 02 00 00 
{66} normal block at 0x000002BD59D0DD80, 16 bytes long.
 Data: <                > 80 EA F0 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002BD59D0DA10, 16 bytes long.
 Data: <@               > 40 E9 F0 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BD59D0DFB0, 16 bytes long.
 Data: < W              > F8 57 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002BD59D0D4C0, 16 bytes long.
 Data: <&#216;W              > D8 57 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002BD59D0DD30, 16 bytes long.
 Data: <P               > 50 04 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002BD59D0D650, 16 bytes long.
 Data: <0               > 30 04 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002BD59D0D470, 16 bytes long.
 Data: <                > E0 02 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002BD59D0D830, 16 bytes long.
 Data: <                > 10 04 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002BD59D0DCE0, 16 bytes long.
 Data: <p               > 70 04 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002BD59D0D3D0, 16 bytes long.
 Data: < &#192;              > 18 C0 EB 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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