Task 38597481

Name p38_A27_A25_r0_1-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND5973_0
Workunit 31553374
Created 8 Apr 2026, 7:51:27 UTC
Sent 8 Apr 2026, 8:22:58 UTC
Report deadline 13 Apr 2026, 8:22:58 UTC
Received 8 Apr 2026, 12:38:31 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 603318
Run time 1 min 17 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 21,735.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 55.35 MB
Peak swap size 40.17 MB
Peak disk usage 1.43 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>
08:36:46 (45860): wrapper (7.9.26016): starting
08:36:46 (45860): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_input.yaml
run.bat
run.sh
08:36:47 (45860): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:36:47 (45860): 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 91, in load_system
    self.pdb = PDBFile(self.pdbtopfile)
               ^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\pdbfile.py", line 93, in __init__
    inputfile = open(file)
                ^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A27_A25.pdb'
08:36:55 (45860): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
08:36:55 (45860): app exit status: 0x16
08:36:55 (45860): called boinc_finish(195)
0 bytes in 0 Free Blocks.
426 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: 387530 bytes.
Dumping objects ->
{3835228} normal block at 0x0000024F34764640, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000024F34764B80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000024F34764A30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835195} normal block at 0x0000024F34764BF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x0000024F347649C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835153} normal block at 0x0000024F36513B80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x0000024F3652C780, 85 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) : {3835139} normal block at 0x0000024F3475A9A0, 8 bytes long.
 Data: <  &#197;4O   > 00 00 C5 34 4F 02 00 00 
{3834537} normal block at 0x0000024F3652BE20, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000024F3475B210, 8 bytes long.
 Data: < &#215;t4O   > 00 D7 74 34 4F 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024F34751830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024F3474F5A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000024F34765BE0, 16 bytes long.
 Data: <&#200;dv4O           > C8 64 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024F347651E0, 16 bytes long.
 Data: <&#160;dv4O           > A0 64 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024F34760DD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000024F34765780, 16 bytes long.
 Data: <xdv4O           > 78 64 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024F34765690, 16 bytes long.
 Data: <Pdv4O           > 50 64 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024F34765B40, 16 bytes long.
 Data: <(dv4O           > 28 64 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024F347655A0, 16 bytes long.
 Data: < dv4O           > 00 64 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024F34764AA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000024F34765370, 16 bytes long.
 Data: <x u4O           > 78 14 75 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024F34761190, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000024F34766090, 16 bytes long.
 Data: <P u4O           > 50 14 75 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024F347656E0, 16 bytes long.
 Data: <( u4O           > 28 14 75 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024F34765FA0, 16 bytes long.
 Data: <  u4O           > 00 14 75 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024F34765910, 16 bytes long.
 Data: <&#216; u4O           > D8 13 75 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024F34765A50, 16 bytes long.
 Data: <&#176; u4O           > B0 13 75 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024F34765E10, 16 bytes long.
 Data: <  u4O           > 88 13 75 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024F347614F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000024F347659B0, 16 bytes long.
 Data: <` u4O           > 60 13 75 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024F34751360, 320 bytes long.
 Data: <&#176;Yv4O   &#240; v4O   > B0 59 76 34 4F 02 00 00 F0 14 76 34 4F 02 00 00 
{274} normal block at 0x0000024F34765C80, 16 bytes long.
 Data: <&#224;cv4O           > E0 63 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024F34765550, 16 bytes long.
 Data: <&#184;cv4O           > B8 63 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024F34760E30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000024F34765F00, 16 bytes long.
 Data: < cv4O           > 90 63 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024F34761490, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000024F34765EB0, 16 bytes long.
 Data: <&#216;bv4O           > D8 62 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024F34765C30, 16 bytes long.
 Data: <&#176;bv4O           > B0 62 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024F347654B0, 16 bytes long.
 Data: < bv4O           > 88 62 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024F34765AA0, 16 bytes long.
 Data: <`bv4O           > 60 62 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024F34765500, 16 bytes long.
 Data: <8bv4O           > 38 62 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024F34765730, 16 bytes long.
 Data: < bv4O           > 10 62 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024F34765410, 16 bytes long.
 Data: < Gv4O           > 90 47 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024F34764790, 40 bytes long.
 Data: < Tv4O    ;Q6O   > 10 54 76 34 4F 02 00 00 80 3B 51 36 4F 02 00 00 
{260} normal block at 0x0000024F34765F50, 16 bytes long.
 Data: <&#240;av4O           > F0 61 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024F34765280, 16 bytes long.
 Data: <&#200;av4O           > C8 61 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024F34760EF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000024F34765820, 16 bytes long.
 Data: <&#160;av4O           > A0 61 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024F347661A0, 992 bytes long.
 Data: < Xv4O   &#240; v4O   > 20 58 76 34 4F 02 00 00 F0 0E 76 34 4F 02 00 00 
{92} normal block at 0x0000024F34760950, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000024F3475B170, 16 bytes long.
 Data: <&#192; v4O           > C0 05 76 34 4F 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000024F347605C0, 40 bytes long.
 Data: <p&#177;u4O   P	v4O   > 70 B1 75 34 4F 02 00 00 50 09 76 34 4F 02 00 00 
{69} normal block at 0x0000024F3475A950, 16 bytes long.
 Data: < &#234;2!&#246;           > 80 EA 32 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024F3475A9F0, 16 bytes long.
 Data: <@&#233;2!&#246;           > 40 E9 32 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024F3475AFE0, 16 bytes long.
 Data: <&#248;W/!&#246;           > F8 57 2F 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024F3475A770, 16 bytes long.
 Data: <&#216;W/!&#246;           > D8 57 2F 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024F3475AF90, 16 bytes long.
 Data: <P /!&#246;           > 50 04 2F 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024F3475A450, 16 bytes long.
 Data: <0 /!&#246;           > 30 04 2F 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024F3475AEA0, 16 bytes long.
 Data: <&#224; /!&#246;           > E0 02 2F 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024F3475AC20, 16 bytes long.
 Data: <  /!&#246;           > 10 04 2F 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024F3475A310, 16 bytes long.
 Data: <p /!&#246;           > 70 04 2F 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024F3475AA40, 16 bytes long.
 Data: < &#192;-!&#246;           > 18 C0 2D 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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