Task 38602000

Name BACE_A22_A34_r0_3-QUICO_ATM_GAFF2_NAGL_BACE-3-6-RND5628_0
Workunit 31556481
Created 9 Apr 2026, 20:14:26 UTC
Sent 9 Apr 2026, 20:14:27 UTC
Report deadline 14 Apr 2026, 20:14:27 UTC
Received 9 Apr 2026, 22:44:50 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 618180
Run time
CPU time
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

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:36:37 (34976): wrapper (7.9.26016): starting
15:36:37 (34976): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A22_A34_0.pdb
QB_A22_A34_0.xml
QB_A22_A34.inpcrd
QB_A22_A34_input.yaml
QB_A22_A34.pdb
QB_A22_A34.prmtop
QB_A22_A34_sys.xml
run.bat
run.sh
15:36:40 (34976): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:36:40 (34976): 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 427, in __init__
    self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, 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 443, in start_worker
    self._openmm_worker_body()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
    self.ommsystem.create_system()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
    self.load_system()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
    self.system = XmlSerializer.deserialize(input.read())
                  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
    return XmlSerializer.deserializeSystem(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
    return _openmm.XmlSerializer_deserializeSystem(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Unknown property 'type' in node ''
17:05:51 (34976): C:/Windows/system32/cmd.exe exited; CPU time 13.468750
17:05:51 (34976): app exit status: 0x16
17:05:51 (34976): 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: 56693059 bytes.
Dumping objects ->
{3835243} normal block at 0x000001ECE8340280, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001ECE8340910, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x000001ECE8340E50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835210} normal block at 0x000001ECE8340440, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x000001ECE8340DE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835168} normal block at 0x000001ECE833F440, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835157} normal block at 0x000001ECEA124BB0, 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) : {3835154} normal block at 0x000001ECE8310B90, 8 bytes long.
 Data: <  &#249;&#233;&#236;   > 00 00 F9 E9 EC 01 00 00 
{3834556} normal block at 0x000001ECEA124B00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000001ECE83108C0, 8 bytes long.
 Data: <  !&#234;&#236;   > 20 13 21 EA EC 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001ECE8319E70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001ECE8293D90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001ECE83182D0, 16 bytes long.
 Data: <Xu1&#232;&#236;           > 58 75 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001ECE8318410, 16 bytes long.
 Data: <0u1&#232;&#236;           > 30 75 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001ECE830F230, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001ECE8318230, 16 bytes long.
 Data: < u1&#232;&#236;           > 08 75 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001ECE8318280, 16 bytes long.
 Data: <&#224;t1&#232;&#236;           > E0 74 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001ECE8317BF0, 16 bytes long.
 Data: <&#184;t1&#232;&#236;           > B8 74 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001ECE8317920, 16 bytes long.
 Data: < t1&#232;&#236;           > 90 74 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001ECE8314490, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001ECE8318140, 16 bytes long.
 Data: <&#168;&#254;0&#232;&#236;           > A8 FE 30 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ECE830EF30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001ECE8317FB0, 16 bytes long.
 Data: < &#254;0&#232;&#236;           > 80 FE 30 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ECE83177E0, 16 bytes long.
 Data: <X&#254;0&#232;&#236;           > 58 FE 30 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001ECE83184B0, 16 bytes long.
 Data: <0&#254;0&#232;&#236;           > 30 FE 30 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ECE83179C0, 16 bytes long.
 Data: < &#254;0&#232;&#236;           > 08 FE 30 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001ECE8318550, 16 bytes long.
 Data: <&#224;&#253;0&#232;&#236;           > E0 FD 30 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ECE83178D0, 16 bytes long.
 Data: <&#184;&#253;0&#232;&#236;           > B8 FD 30 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ECE830ECF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001ECE83185A0, 16 bytes long.
 Data: < &#253;0&#232;&#236;           > 90 FD 30 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ECE830FD90, 320 bytes long.
 Data: <&#160;&#133;1&#232;&#236;   &#240;&#236;0&#232;&#236;   > A0 85 31 E8 EC 01 00 00 F0 EC 30 E8 EC 01 00 00 
{281} normal block at 0x000001ECE8317F60, 16 bytes long.
 Data: <pt1&#232;&#236;           > 70 74 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ECE8317830, 16 bytes long.
 Data: <Ht1&#232;&#236;           > 48 74 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ECE830EF90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001ECE83180A0, 16 bytes long.
 Data: < t1&#232;&#236;           > 20 74 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ECE830EBD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001ECE83176A0, 16 bytes long.
 Data: <hs1&#232;&#236;           > 68 73 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ECE8317F10, 16 bytes long.
 Data: <@s1&#232;&#236;           > 40 73 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001ECE8317880, 16 bytes long.
 Data: < s1&#232;&#236;           > 18 73 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001ECE8310960, 16 bytes long.
 Data: <&#240;r1&#232;&#236;           > F0 72 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ECE8310910, 16 bytes long.
 Data: <&#200;r1&#232;&#236;           > C8 72 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001ECE8311720, 16 bytes long.
 Data: <&#160;r1&#232;&#236;           > A0 72 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ECE83116D0, 16 bytes long.
 Data: < E1&#232;&#236;           > 00 45 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001ECE8314500, 40 bytes long.
 Data: <&#208; 1&#232;&#236;   @&#244;3&#232;&#236;   > D0 16 31 E8 EC 01 00 00 40 F4 33 E8 EC 01 00 00 
{267} normal block at 0x000001ECE8310A50, 16 bytes long.
 Data: < r1&#232;&#236;           > 80 72 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ECE8311680, 16 bytes long.
 Data: <Xr1&#232;&#236;           > 58 72 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001ECE830E750, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001ECE8311360, 16 bytes long.
 Data: <0r1&#232;&#236;           > 30 72 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ECE8317230, 992 bytes long.
 Data: <` 1&#232;&#236;   P&#231;0&#232;&#236;   > 60 13 31 E8 EC 01 00 00 50 E7 30 E8 EC 01 00 00 
{99} normal block at 0x000001ECE830EED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001ECE8310870, 16 bytes long.
 Data: <&#240;H1&#232;&#236;           > F0 48 31 E8 EC 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001ECE83148F0, 40 bytes long.
 Data: <p 1&#232;&#236;   &#208;&#238;0&#232;&#236;   > 70 08 31 E8 EC 01 00 00 D0 EE 30 E8 EC 01 00 00 
{76} normal block at 0x000001ECE8310BE0, 16 bytes long.
 Data: < &#234;&#169; &#247;           > 80 EA A9 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001ECE8310D20, 16 bytes long.
 Data: <@&#233;&#169; &#247;           > 40 E9 A9 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001ECE83114F0, 16 bytes long.
 Data: <&#248;W&#166; &#247;           > F8 57 A6 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001ECE8311400, 16 bytes long.
 Data: <&#216;W&#166; &#247;           > D8 57 A6 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001ECE8310AF0, 16 bytes long.
 Data: <P &#166; &#247;           > 50 04 A6 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001ECE8310DC0, 16 bytes long.
 Data: <0 &#166; &#247;           > 30 04 A6 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001ECE8310B40, 16 bytes long.
 Data: <&#224; &#166; &#247;           > E0 02 A6 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001ECE8311220, 16 bytes long.
 Data: <  &#166; &#247;           > 10 04 A6 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001ECE83112C0, 16 bytes long.
 Data: <p &#166; &#247;           > 70 04 A6 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001ECE8311450, 16 bytes long.
 Data: < &#192;&#164; &#247;           > 18 C0 A4 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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