Task 38617496

Name p38_2_A11_A33_r0_2-QUICO_ATM_GAFF2_NAGL_p38_2-1-6-RND0780_0
Workunit 31569144
Created 18 Apr 2026, 4:51:09 UTC
Sent 18 Apr 2026, 4:51:14 UTC
Report deadline 23 Apr 2026, 4:51:14 UTC
Received 18 Apr 2026, 5:00:05 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 10 sec
CPU time 36 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 310.15 MB
Peak swap size 10.46 GB
Peak disk usage 3.74 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>
13:57:02 (28564): wrapper (7.9.26016): starting
13:57:02 (28564): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A11_A33_0.pdb
QB_A11_A33_0.xml
QB_A11_A33.inpcrd
QB_A11_A33_input.yaml
QB_A11_A33.pdb
QB_A11_A33.prmtop
QB_A11_A33_sys.xml
run.bat
run.sh
13:57:04 (28564): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:57:04 (28564): 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"
13:58:07 (28564): C:/Windows/system32/cmd.exe exited; CPU time 36.453125
13:58:07 (28564): app exit status: 0x16
13:58:07 (28564): 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: 1543069 bytes.
Dumping objects ->
{3835376} normal block at 0x0000026BBCD71170, 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 0x0000026BBCD70D10, 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 0x0000026BBCD71100, 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 0x0000026BBCD707D0, 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 0x0000026BBCD70FB0, 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 0x0000026BBCEB9FE0, 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 0x0000026BBAE5D6A0, 8 bytes long.
 Data: <   &#186;k   > 00 00 E1 BA 6B 02 00 00 
{3834045} normal block at 0x0000026BBAE5D100, 8 bytes long.
 Data: < x &#188;k   > F0 78 E1 BC 6B 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000026BBAE57540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026BBAE55CB0, 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 0x0000026BBAE69810, 16 bytes long.
 Data: <&#200;&#163; &#186;k           > C8 A3 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026BBAE692C0, 16 bytes long.
 Data: < &#163; &#186;k           > A0 A3 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026BBAE651F0, 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 0x0000026BBAE69270, 16 bytes long.
 Data: <x&#163; &#186;k           > 78 A3 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026BBAE69220, 16 bytes long.
 Data: <P&#163; &#186;k           > 50 A3 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026BBAE69E50, 16 bytes long.
 Data: <(&#163; &#186;k           > 28 A3 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026BBAE69E00, 16 bytes long.
 Data: < &#163; &#186;k           > 00 A3 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026BBAE63C20, 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 0x0000026BBAE69DB0, 16 bytes long.
 Data: <xM &#186;k           > 78 4D E5 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026BBAE659D0, 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 0x0000026BBAE69360, 16 bytes long.
 Data: <PM &#186;k           > 50 4D E5 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026BBAE691D0, 16 bytes long.
 Data: <(M &#186;k           > 28 4D E5 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026BBAE69D60, 16 bytes long.
 Data: < M &#186;k           > 00 4D E5 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026BBAE69D10, 16 bytes long.
 Data: <&#216;L &#186;k           > D8 4C E5 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026BBAE69860, 16 bytes long.
 Data: <&#176;L &#186;k           > B0 4C E5 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026BBAE69CC0, 16 bytes long.
 Data: < L &#186;k           > 88 4C E5 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026BBAE657F0, 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 0x0000026BBAE69400, 16 bytes long.
 Data: <`L &#186;k           > 60 4C E5 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026BBAE54C60, 320 bytes long.
 Data: <   &#186;k    W &#186;k   > 00 94 E6 BA 6B 02 00 00 F0 57 E6 BA 6B 02 00 00 
{273} normal block at 0x0000026BBAE69C20, 16 bytes long.
 Data: < &#162; &#186;k           > E0 A2 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026BBAE69BD0, 16 bytes long.
 Data: <&#184;&#162; &#186;k           > B8 A2 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026BBAE658B0, 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 0x0000026BBAE69B80, 16 bytes long.
 Data: < &#162; &#186;k           > 90 A2 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026BBAE65130, 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 0x0000026BBAE69B30, 16 bytes long.
 Data: <&#216;&#161; &#186;k           > D8 A1 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026BBAE69950, 16 bytes long.
 Data: <&#176;&#161; &#186;k           > B0 A1 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026BBAE69180, 16 bytes long.
 Data: < &#161; &#186;k           > 88 A1 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026BBAE695E0, 16 bytes long.
 Data: <`&#161; &#186;k           > 60 A1 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026BBAE69130, 16 bytes long.
 Data: <8&#161; &#186;k           > 38 A1 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026BBAE69590, 16 bytes long.
 Data: < &#161; &#186;k           > 10 A1 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026BBAE69AE0, 16 bytes long.
 Data: <P7 &#186;k           > 50 37 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026BBAE63750, 40 bytes long.
 Data: <   &#186;k      &#188;k   > E0 9A E6 BA 6B 02 00 00 E0 9F EB BC 6B 02 00 00 
{259} normal block at 0x0000026BBAE693B0, 16 bytes long.
 Data: <   &#186;k           > F0 A0 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026BBAE69540, 16 bytes long.
 Data: <&#200;  &#186;k           > C8 A0 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026BBAE653D0, 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 0x0000026BBAE69900, 16 bytes long.
 Data: <   &#186;k           > A0 A0 E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000026BBAE6A0A0, 992 bytes long.
 Data: <   &#186;k   &#208;S &#186;k   > 00 99 E6 BA 6B 02 00 00 D0 53 E6 BA 6B 02 00 00 
{91} normal block at 0x0000026BBAE65370, 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 0x0000026BBAE5DD80, 16 bytes long.
 Data: <p= &#186;k           > 70 3D E6 BA 6B 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000026BBAE63D70, 40 bytes long.
 Data: < &#221; &#186;k   pS &#186;k   > 80 DD E5 BA 6B 02 00 00 70 53 E6 BA 6B 02 00 00 
{66} normal block at 0x0000026BBAE5D150, 16 bytes long.
 Data: <                > 80 EA F5 0E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026BBAE5D650, 16 bytes long.
 Data: <@               > 40 E9 F5 0E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026BBAE5D600, 16 bytes long.
 Data: < W              > F8 57 F2 0E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026BBAE5DE20, 16 bytes long.
 Data: <&#216;W              > D8 57 F2 0E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026BBAE5D2E0, 16 bytes long.
 Data: <P               > 50 04 F2 0E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026BBAE5D7E0, 16 bytes long.
 Data: <0               > 30 04 F2 0E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026BBAE5DD30, 16 bytes long.
 Data: <                > E0 02 F2 0E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026BBAE5D830, 16 bytes long.
 Data: <                > 10 04 F2 0E F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000026BBAE5D740, 16 bytes long.
 Data: <p               > 70 04 F2 0E F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000026BBAE5DC40, 16 bytes long.
 Data: < &#192;              > 18 C0 F0 0E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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