Task 38645115

Name shp2_A09_A08_r0_5-QUICO_ATM_GAFF2_NAGL_shp2-5-6-RND5760_1
Workunit 31590190
Created 12 May 2026, 22:56:30 UTC
Sent 12 May 2026, 22:56:33 UTC
Report deadline 17 May 2026, 22:56:33 UTC
Received 12 May 2026, 23:06:55 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 628418
Run time 1 min 37 sec
CPU time 18 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 9,336.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 48.96 MB
Peak swap size 36.67 MB
Peak disk usage 1.50 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
00:04:34 (25856): wrapper (7.9.26016): starting
00:04:34 (25856): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A08_0.pdb
QB_A09_A08_0.xml
QB_A09_A08.inpcrd
QB_A09_A08_input.yaml
QB_A09_A08.pdb
QB_A09_A08.prmtop
QB_A09_A08_sys.xml
run.bat
run.sh
00:04:36 (25856): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:04:36 (25856): 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 'D:\BOINC_DATA\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 'D:\BOINC_DATA\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 "D:\BOINC_DATA\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
    self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
    self._openmm_worker_body()
  File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
    self.ommsystem.create_system()
  File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
    self.load_system()
  File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
    self.system = XmlSerializer.deserialize(input.read())
                                            ^^^^^^^^^^^^
  File "D:\BOINC_DATA\slots\0\Lib\encodings\cp1252.py", line 23, in decode
    return codecs.charmap_decode(input,self.errors,decoding_table)[0]
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
MemoryError
00:05:09 (25856): C:/Windows/system32/cmd.exe exited; CPU time 18.656250
00:05:09 (25856): app exit status: 0x16
00:05:09 (25856): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 790775 bytes.
Dumping objects ->
{3835247} normal block at 0x00000243891A12C0, 48 bytes long.
 Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835236} normal block at 0x00000243892E6470, 32 bytes long.
 Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835225} normal block at 0x00000243892E6350, 32 bytes long.
 Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54 
{3835214} normal block at 0x00000243892E64D0, 32 bytes long.
 Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835203} normal block at 0x00000243892E6110, 32 bytes long.
 Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F 
{3835172} normal block at 0x00000243891A1480, 48 bytes long.
 Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835161} normal block at 0x0000024389285790, 180 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) : {3835158} normal block at 0x00000243875B73A0, 8 bytes long.
 Data: <  &#244; C   > 00 00 F4 88 43 02 00 00 
{3834561} normal block at 0x00000243892852E0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000243875B71C0, 8 bytes long.
 Data: <P&#182;.&#137;C   > 50 B6 2E 89 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000243875C1DD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000243875AB070, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000243875C3C20, 16 bytes long.
 Data: <HA\&#135;C           > 48 41 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000243875C3680, 16 bytes long.
 Data: < A\&#135;C           > 20 41 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000243875BBED0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000243875C3590, 16 bytes long.
 Data: <&#248;@\&#135;C           > F8 40 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000243875C3B30, 16 bytes long.
 Data: <&#208;@\&#135;C           > D0 40 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000243875C37C0, 16 bytes long.
 Data: <&#168;@\&#135;C           > A8 40 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000243875C3360, 16 bytes long.
 Data: < @\&#135;C           > 80 40 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000243875BDAE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000243875C39F0, 16 bytes long.
 Data: < aZ&#135;C           > 88 61 5A 87 43 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000243875BBDB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000243875C3AE0, 16 bytes long.
 Data: <`aZ&#135;C           > 60 61 5A 87 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000243875C3D10, 16 bytes long.
 Data: <8aZ&#135;C           > 38 61 5A 87 43 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000243875C34F0, 16 bytes long.
 Data: < aZ&#135;C           > 10 61 5A 87 43 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000243875C32C0, 16 bytes long.
 Data: <&#232;`Z&#135;C           > E8 60 5A 87 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000243875C39A0, 16 bytes long.
 Data: <&#192;`Z&#135;C           > C0 60 5A 87 43 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000243875C3CC0, 16 bytes long.
 Data: < `Z&#135;C           > 98 60 5A 87 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000243875BBFF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000243875C3130, 16 bytes long.
 Data: <p`Z&#135;C           > 70 60 5A 87 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000243875A6070, 320 bytes long.
 Data: <01\&#135;C   &#240;&#191;[&#135;C   > 30 31 5C 87 43 02 00 00 F0 BF 5B 87 43 02 00 00 
{278} normal block at 0x00000243875C3090, 16 bytes long.
 Data: <`@\&#135;C           > 60 40 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000243875C3220, 16 bytes long.
 Data: <8@\&#135;C           > 38 40 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000243875BC6B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000243875C3450, 16 bytes long.
 Data: < @\&#135;C           > 10 40 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000243875BB870, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000243875C2EB0, 16 bytes long.
 Data: <X?\&#135;C           > 58 3F 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000243875C3B80, 16 bytes long.
 Data: <0?\&#135;C           > 30 3F 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000243875C3400, 16 bytes long.
 Data: < ?\&#135;C           > 08 3F 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000243875C3040, 16 bytes long.
 Data: <&#224;>\&#135;C           > E0 3E 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000243875C3180, 16 bytes long.
 Data: <&#184;>\&#135;C           > B8 3E 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000243875C3860, 16 bytes long.
 Data: < >\&#135;C           > 90 3E 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000243875C3A90, 16 bytes long.
 Data: < &#217;[&#135;C           > 90 D9 5B 87 43 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000243875BD990, 40 bytes long.
 Data: < :\&#135;C      &#137;C   > 90 3A 5C 87 43 02 00 00 80 14 1A 89 43 02 00 00 
{264} normal block at 0x00000243875C35E0, 16 bytes long.
 Data: <p>\&#135;C           > 70 3E 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000243875C34A0, 16 bytes long.
 Data: <H>\&#135;C           > 48 3E 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000243875BB810, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000243875C3BD0, 16 bytes long.
 Data: < >\&#135;C           > 20 3E 5C 87 43 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000243875C3E20, 992 bytes long.
 Data: <&#208;;\&#135;C    &#184;[&#135;C   > D0 3B 5C 87 43 02 00 00 10 B8 5B 87 43 02 00 00 
{96} normal block at 0x00000243875BB9F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000243875B7170, 16 bytes long.
 Data: < &#218;[&#135;C           > 00 DA 5B 87 43 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000243875BDA00, 40 bytes long.
 Data: <pq[&#135;C   &#240;&#185;[&#135;C   > 70 71 5B 87 43 02 00 00 F0 B9 5B 87 43 02 00 00 
{73} normal block at 0x00000243875B6DB0, 16 bytes long.
 Data: < &#234;Q&#214;&#247;           > 80 EA 51 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000243875B78F0, 16 bytes long.
 Data: <@&#233;Q&#214;&#247;           > 40 E9 51 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000243875B6FE0, 16 bytes long.
 Data: <&#248;WN&#214;&#247;           > F8 57 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000243875B6B80, 16 bytes long.
 Data: <&#216;WN&#214;&#247;           > D8 57 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000243875B7260, 16 bytes long.
 Data: <P N&#214;&#247;           > 50 04 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000243875B7120, 16 bytes long.
 Data: <0 N&#214;&#247;           > 30 04 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000243875B6D60, 16 bytes long.
 Data: <&#224; N&#214;&#247;           > E0 02 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000243875B75D0, 16 bytes long.
 Data: <  N&#214;&#247;           > 10 04 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000243875B7490, 16 bytes long.
 Data: <p N&#214;&#247;           > 70 04 4E D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000243875B6B30, 16 bytes long.
 Data: < &#192;L&#214;&#247;           > 18 C0 4C D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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