Task 38621511
| Name | MCL1_A27_A40_r0_3-QUICO_ATM_OpenFF_MCL1-5-6-RND1630_0 |
| Workunit | 31572380 |
| Created | 20 Apr 2026, 9:56:54 UTC |
| Sent | 20 Apr 2026, 9:57:04 UTC |
| Report deadline | 25 Apr 2026, 9:57:04 UTC |
| Received | 22 Apr 2026, 22:39:33 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652180 |
| Run time | 3 hours 4 min 31 sec |
| CPU time | 2 hours 19 min 51 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,740.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 451.49 MB |
| Peak swap size | 13.99 GB |
| Peak disk usage | 2.91 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
01:17:36 (12620): wrapper (7.9.26016): starting
01:17:36 (12620): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A40_0.pdb
QB_A27_A40_0.xml
QB_A27_A40.inpcrd
QB_A27_A40_input.yaml
QB_A27_A40.pdb
QB_A27_A40.prmtop
QB_A27_A40_sys.xml
run.bat
run.sh
01:17:45 (12620): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:17:45 (12620): 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\37\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\37\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) : {3835116} normal block at 0x0000022369FE69A0, 8 bytes long.
Data: < i# > 00 00 F5 69 23 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833940} normal block at 0x000002236BC83FC0, 1080 bytes long.
Data: < ' > D0 27 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000022369FF23F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
06:59:44 (4156): wrapper (7.9.26016): starting
06:59:44 (4156): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\37\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1471} normal block at 0x0000022DB81D3810, 8 bytes long.
Data: < - > 00 00 17 B8 2D 02 00 00
..\lib\diagnostics_win.cpp(417) : {295} normal block at 0x0000022DB81D43D0, 1080 bytes long.
Data: <h P > 68 14 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
00:06:33 (19992): wrapper (7.9.26016): starting
00:06:35 (19992): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1471} normal block at 0x0000028D999E4000, 8 bytes long.
Data: < > 00 00 93 99 8D 02 00 00
..\lib\diagnostics_win.cpp(417) : {295} normal block at 0x0000028D999E4E60, 1080 bytes long.
Data: < F L > 14 46 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
00:37:15 (8032): wrapper (7.9.26016): starting
00:37:15 (8032): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\37\tmp already exists.
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\37\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\37\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\37\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\37\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\37\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\37\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\37\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\37\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\37\Lib\site-packages\openmm\app\pdbfile.py", line 156, in __init__
atomByNumber[atom.serial_number] = newAtom
~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^
MemoryError
00:37:28 (8032): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
00:37:28 (8032): app exit status: 0x16
00:37:28 (8032): 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: 206899 bytes.
Dumping objects ->
{1560} normal block at 0x00000253EBAC0680, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1549} normal block at 0x00000253EBAC0AE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1538} normal block at 0x00000253EBAC0A00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1527} normal block at 0x00000253EBAC05A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1516} normal block at 0x00000253EBAC0990, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1485} normal block at 0x00000253EBAAA920, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1474} normal block at 0x00000253EBAA6140, 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) : {1471} normal block at 0x00000253EBAC3B60, 8 bytes long.
Data: < N S > 00 00 4E ED 53 02 00 00
{874} normal block at 0x00000253EBABC040, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{296} normal block at 0x00000253EBAC3570, 8 bytes long.
Data: < E S > E0 45 AC EB 53 02 00 00
{287} normal block at 0x00000253EBABC130, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{286} normal block at 0x00000253EBAC3700, 16 bytes long.
Data: < D S > E8 44 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000253EBAC3520, 16 bytes long.
Data: < D S > C0 44 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000253EBABC390, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{283} normal block at 0x00000253EBAC34D0, 16 bytes long.
Data: < D S > 98 44 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000253EBAC3480, 16 bytes long.
Data: <pD S > 70 44 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000253EBAC3D40, 16 bytes long.
Data: <HD S > 48 44 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000253EBAC3750, 16 bytes long.
Data: < D S > 20 44 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000253EBAC0920, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{278} normal block at 0x00000253EBAC39D0, 16 bytes long.
Data: < Z S > C8 5A AA EB 53 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000253EBABD0B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{276} normal block at 0x00000253EBAC36B0, 16 bytes long.
Data: < Z S > A0 5A AA EB 53 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000253EBAC3660, 16 bytes long.
Data: <xZ S > 78 5A AA EB 53 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000253EBAC3CF0, 16 bytes long.
Data: <PZ S > 50 5A AA EB 53 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000253EBAC3430, 16 bytes long.
Data: <(Z S > 28 5A AA EB 53 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000253EBAC33E0, 16 bytes long.
Data: < Z S > 00 5A AA EB 53 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000253EBAC35C0, 16 bytes long.
Data: < Y S > D8 59 AA EB 53 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000253EBABCE10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{268} normal block at 0x00000253EBAC3200, 16 bytes long.
Data: < Y S > B0 59 AA EB 53 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000253EBAA59B0, 320 bytes long.
Data: < 2 S S > 00 32 AC EB 53 02 00 00 10 CE AB EB 53 02 00 00
{266} normal block at 0x00000253EBAC3980, 16 bytes long.
Data: < D S > 00 44 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000253EBAC3930, 16 bytes long.
Data: < C S > D8 43 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000253EBABC810, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{263} normal block at 0x00000253EBAC3250, 16 bytes long.
Data: < C S > B0 43 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000253EBABC5D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{261} normal block at 0x00000253EBAC40B0, 16 bytes long.
Data: < B S > F8 42 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000253EBAC4010, 16 bytes long.
Data: < B S > D0 42 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000253EBAC3610, 16 bytes long.
Data: < B S > A8 42 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000253EBAC32F0, 16 bytes long.
Data: < B S > 80 42 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000253EBAC3ED0, 16 bytes long.
Data: <XB S > 58 42 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000253EBAC32A0, 16 bytes long.
Data: <0B S > 30 42 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000253EBAC3CA0, 16 bytes long.
Data: <p S > 70 0A AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000253EBAC0A70, 40 bytes long.
Data: < < S S > A0 3C AC EB 53 02 00 00 20 A9 AA EB 53 02 00 00
{252} normal block at 0x00000253EBAC3BB0, 16 bytes long.
Data: < B S > 10 42 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000253EBAC3C50, 16 bytes long.
Data: < A S > E8 41 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000253EBABCFF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{249} normal block at 0x00000253EBAC3DE0, 16 bytes long.
Data: < A S > C0 41 AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{248} normal block at 0x00000253EBAC41C0, 992 bytes long.
Data: < = S S > E0 3D AC EB 53 02 00 00 F0 CF AB EB 53 02 00 00
{84} normal block at 0x00000253EBABCB10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{83} normal block at 0x00000253EBAB7170, 16 bytes long.
Data: < S > A0 0C AC EB 53 02 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x00000253EBAC0CA0, 40 bytes long.
Data: <pq S S > 70 71 AB EB 53 02 00 00 10 CB AB EB 53 02 00 00
{61} normal block at 0x00000253EBAB6FE0, 16 bytes long.
Data: < x > 80 EA 78 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000253EBAB6540, 16 bytes long.
Data: <@ x > 40 E9 78 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000253EBAB6900, 16 bytes long.
Data: < Wu > F8 57 75 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000253EBAB65E0, 16 bytes long.
Data: < Wu > D8 57 75 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000253EBAB6BD0, 16 bytes long.
Data: <P u > 50 04 75 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000253EBAB6C70, 16 bytes long.
Data: <0 u > 30 04 75 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000253EBAB6AE0, 16 bytes long.
Data: < u > E0 02 75 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000253EBAB7080, 16 bytes long.
Data: < u > 10 04 75 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x00000253EBAB68B0, 16 bytes long.
Data: <p u > 70 04 75 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x00000253EBAB6590, 16 bytes long.
Data: < s > 18 C0 73 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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