Task 38660565

Name	test_320-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND1714_1
Workunit	31603262
Created	24 Oct 2026, 14:22:17 UTC
Sent	24 Oct 2026, 14:46:24 UTC
Report deadline	29 Oct 2026, 14:46:24 UTC
Received	24 Oct 2026, 17:18:45 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	559474
Run time	31 min 7 sec
CPU time	28 min 42 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	9,142.82 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	687.47 MB
Peak swap size	6.74 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:35:28 (5640): wrapper (7.9.26016): starting
09:35:28 (5640): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
09:35:30 (5640): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:35:30 (5640): 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 'E:\ProgramData\BOINC\slots\17\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 'E:\ProgramData\BOINC\slots\17\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835119} normal block at 0x00000177866D6B50, 8 bytes long.
 Data: <  ' w   > 00 00 27 88 77 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x00000177881F4040, 1080 bytes long.
 Data: < *      L       > AC 2A 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000177866E04E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
10:16:39 (37304): wrapper (7.9.26016): starting
10:16:39 (37304): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\ProgramData\BOINC\slots\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "E:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\openmm_async_re.py", line 432, in __init__
    replica = OMMReplicaATM(i, self.basename, self.service_worker, self.logger, self.keywords)
              ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
    self.load_checkpoint()
  File "E:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
    self.worker.simulation.loadState(ckptfile)
  File "E:\ProgramData\BOINC\slots\17\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\ProgramData\BOINC\slots\17\Lib\site-packages\openmm\openmm.py", line 19618, in deserialize
    raise ValueError("Invalid input string")
ValueError: Invalid input string

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "<frozen runpy>", line 198, in _run_module_as_main
  File "<frozen runpy>", line 88, in _run_code
  File "E:\ProgramData\BOINC\slots\17\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "E:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "E:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
    self._exit("Error when creating replica.")
  File "E:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "E:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
    self.update_state_of_replica(repl)
  File "E:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
    stateid = self.status[repl]['stateid_current']
              ^^^^^^^^^^^
  File "E:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\async_re.py", line 131, in __getattribute__
    return object.__getattribute__(self,name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'openmm_job_RBFE' object has no attribute 'status'
10:17:11 (37304): C:/Windows/system32/cmd.exe exited; CPU time 30.312500
10:17:11 (37304): app exit status: 0x16
10:17:11 (37304): 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: 674091 bytes.
Dumping objects ->
{1555} normal block at 0x0000023884FFB5D0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{1544} normal block at 0x0000023884FFB3A0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{1533} normal block at 0x0000023884FFB8E0, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1522} normal block at 0x0000023884FFB250, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{1511} normal block at 0x0000023884FFB560, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{1480} normal block at 0x0000023884FEAF70, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000023885001600, 8 bytes long.
 Data: <    8   > 00 00 A4 86 38 02 00 00 
{303} normal block at 0x0000023885001E20, 8 bytes long.
 Data: <P8  8   > 50 38 00 85 38 02 00 00 
{294} normal block at 0x0000023885000F60, 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 0x0000023885001880, 16 bytes long.
 Data: <X7  8           > 58 37 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023885001790, 16 bytes long.
 Data: <07  8           > 30 37 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023884FFCFA0, 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 0x00000238850015B0, 16 bytes long.
 Data: < 7  8           > 08 37 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023885001240, 16 bytes long.
 Data: < 6  8           > E0 36 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023885001BA0, 16 bytes long.
 Data: < 6  8           > B8 36 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023885001560, 16 bytes long.
 Data: < 6  8           > 90 36 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023884FFB6B0, 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 0x0000023885001830, 16 bytes long.
 Data: <    8           > F8 0E 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023884FFCA60, 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 0x0000023885001740, 16 bytes long.
 Data: <    8           > D0 0E 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000238850011F0, 16 bytes long.
 Data: <    8           > A8 0E 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000238850017E0, 16 bytes long.
 Data: <    8           > 80 0E 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000238850019C0, 16 bytes long.
 Data: <X   8           > 58 0E 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023885001510, 16 bytes long.
 Data: <0   8           > 30 0E 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023885001420, 16 bytes long.
 Data: <    8           > 08 0E 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023884FFCC40, 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 0x00000238850013D0, 16 bytes long.
 Data: <    8           > E0 0D 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023885000DE0, 320 bytes long.
 Data: <    8   @   8   > D0 13 00 85 38 02 00 00 40 CC FF 84 38 02 00 00 
{273} normal block at 0x0000023885001CE0, 16 bytes long.
 Data: <p6  8           > 70 36 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023885001970, 16 bytes long.
 Data: <H6  8           > 48 36 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023884FFCCA0, 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 0x0000023885001E70, 16 bytes long.
 Data: < 6  8           > 20 36 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023884FFD720, 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 0x0000023885001920, 16 bytes long.
 Data: <h5  8           > 68 35 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000238850016F0, 16 bytes long.
 Data: <@5  8           > 40 35 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023885001380, 16 bytes long.
 Data: < 5  8           > 18 35 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023885001FB0, 16 bytes long.
 Data: < 4  8           > F0 34 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023885001100, 16 bytes long.
 Data: < 4  8           > C8 34 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023885001A60, 16 bytes long.
 Data: < 4  8           > A0 34 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000238850014C0, 16 bytes long.
 Data: <    8           > F0 B4 FF 84 38 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023884FFB4F0, 40 bytes long.
 Data: <    8   p   8   > C0 14 00 85 38 02 00 00 70 AF FE 84 38 02 00 00 
{259} normal block at 0x0000023885001B50, 16 bytes long.
 Data: < 4  8           > 80 34 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000238850016A0, 16 bytes long.
 Data: <X4  8           > 58 34 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023884FFD540, 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 0x0000023885001F60, 16 bytes long.
 Data: <04  8           > 30 34 00 85 38 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023885003430, 992 bytes long.
 Data: <`   8   @   8   > 60 1F 00 85 38 02 00 00 40 D5 FF 84 38 02 00 00 
{91} normal block at 0x0000023884FFC9A0, 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 0x0000023884FF7120, 16 bytes long.
 Data: <p   8           > 70 B8 FF 84 38 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000023884FFB870, 40 bytes long.
 Data: < q  8       8   > 20 71 FF 84 38 02 00 00 A0 C9 FF 84 38 02 00 00 
{68} normal block at 0x0000023884FF68B0, 16 bytes long.
 Data: <                > 80 EA DF 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023884FF6E00, 16 bytes long.
 Data: <@               > 40 E9 DF 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023884FF6540, 16 bytes long.
 Data: < W              > F8 57 DC 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023884FF70D0, 16 bytes long.
 Data: < W              > D8 57 DC 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023884FF6EA0, 16 bytes long.
 Data: <P               > 50 04 DC 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023884FF7210, 16 bytes long.
 Data: <0               > 30 04 DC 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023884FF66D0, 16 bytes long.
 Data: <                > E0 02 DC 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023884FF6A90, 16 bytes long.
 Data: <                > 10 04 DC 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023884FF6A40, 16 bytes long.
 Data: <p               > 70 04 DC 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023884FF6C20, 16 bytes long.
 Data: <                > 18 C0 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>