Task 38627737
| Name | cdk8_A28_A09_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND9653_4 |
| Workunit | 31577401 |
| Created | 24 Apr 2026, 13:06:08 UTC |
| Sent | 24 Apr 2026, 13:06:29 UTC |
| Report deadline | 29 Apr 2026, 13:06:29 UTC |
| Received | 25 Apr 2026, 7:16:29 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 641073 |
| Run time | 7 min 6 sec |
| CPU time | 9 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 29,155.48 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 369.88 MB |
| Peak swap size | 12.00 GB |
| Peak disk usage | 2.80 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>
02:08:53 (10304): wrapper (7.9.26016): starting
02:08:53 (10304): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A09.inpcrd
QB_A28_A09_input.yaml
QB_A28_A09.pdb
QB_A28_A09.prmtop
QB_A28_A09_sys.xml
run.bat
run.sh
02:08:55 (10304): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:08:55 (10304): 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\3\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\3\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\3\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\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\3\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
02:14:51 (10304): C:/Windows/system32/cmd.exe exited; CPU time 9.375000
02:14:51 (10304): app exit status: 0x16
02:14:51 (10304): 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: 4871679 bytes.
Dumping objects ->
{3835604} normal block at 0x00000199BD673630, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835593} normal block at 0x00000199BD6731D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835582} normal block at 0x00000199BD6730F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835571} normal block at 0x00000199BD673080, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835560} normal block at 0x00000199BD673550, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835529} normal block at 0x00000199BF466D70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835518} normal block at 0x00000199BF47FAE0, 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) : {3835515} normal block at 0x00000199BD66F240, 8 bytes long.
Data: < ¿ > 00 00 18 BF 99 01 00 00
{3834709} normal block at 0x00000199BF480270, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x00000199BD66FF60, 8 bytes long.
Data: <`ëm½ > 60 EB 6D BD 99 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000199BD674ED0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000199BD5F4230, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x00000199BD673CE0, 16 bytes long.
Data: <ø:g½ > F8 3A 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000199BD674780, 16 bytes long.
Data: <Ð:g½ > D0 3A 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000199BD66B1B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x00000199BD674910, 16 bytes long.
Data: <¨:g½ > A8 3A 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000199BD674B90, 16 bytes long.
Data: < :g½ > 80 3A 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000199BD6740A0, 16 bytes long.
Data: <X:g½ > 58 3A 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000199BD6745A0, 16 bytes long.
Data: <0:g½ > 30 3A 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000199BD673470, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x00000199BD674690, 16 bytes long.
Data: <Èëf½ > C8 EB 66 BD 99 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000199BD66AB50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x00000199BD674820, 16 bytes long.
Data: < ëf½ > A0 EB 66 BD 99 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000199BD674550, 16 bytes long.
Data: <xëf½ > 78 EB 66 BD 99 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000199BD674640, 16 bytes long.
Data: <Pëf½ > 50 EB 66 BD 99 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000199BD673D80, 16 bytes long.
Data: <(ëf½ > 28 EB 66 BD 99 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000199BD673EC0, 16 bytes long.
Data: < ëf½ > 00 EB 66 BD 99 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000199BD673C90, 16 bytes long.
Data: <Øêf½ > D8 EA 66 BD 99 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000199BD66AAF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x00000199BD673E70, 16 bytes long.
Data: <°êf½ > B0 EA 66 BD 99 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000199BD66EAB0, 320 bytes long.
Data: <p>g½ ðªf½ > 70 3E 67 BD 99 01 00 00 F0 AA 66 BD 99 01 00 00
{269} normal block at 0x00000199BD673C40, 16 bytes long.
Data: < :g½ > 10 3A 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000199BD674230, 16 bytes long.
Data: <è9g½ > E8 39 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000199BD66ADF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x00000199BD6741E0, 16 bytes long.
Data: <À9g½ > C0 39 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000199BD66B8D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x00000199BD6746E0, 16 bytes long.
Data: < 9g½ > 08 39 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000199BD673E20, 16 bytes long.
Data: <à8g½ > E0 38 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000199BD66F510, 16 bytes long.
Data: <¸8g½ > B8 38 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000199BD66F4C0, 16 bytes long.
Data: < 8g½ > 90 38 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000199BD66F1A0, 16 bytes long.
Data: <h8g½ > 68 38 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000199BD66FBA0, 16 bytes long.
Data: <@8g½ > 40 38 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000199BD66FF10, 16 bytes long.
Data: <À5g½ > C0 35 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000199BD6735C0, 40 bytes long.
Data: < ÿf½ pmF¿ > 10 FF 66 BD 99 01 00 00 70 6D 46 BF 99 01 00 00
{255} normal block at 0x00000199BD66F420, 16 bytes long.
Data: < 8g½ > 20 38 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000199BD66FB50, 16 bytes long.
Data: <ø7g½ > F8 37 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000199BD66AEB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x00000199BD66F100, 16 bytes long.
Data: <Ð7g½ > D0 37 67 BD 99 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000199BD6737D0, 992 bytes long.
Data: < ñf½ °®f½ > 00 F1 66 BD 99 01 00 00 B0 AE 66 BD 99 01 00 00
{87} normal block at 0x00000199BD66B810, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x00000199BD66F6F0, 16 bytes long.
Data: < Þ^½ > 00 DE 5E BD 99 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000199BD5EDE00, 40 bytes long.
Data: <ðöf½ ¸f½ > F0 F6 66 BD 99 01 00 00 10 B8 66 BD 99 01 00 00
{64} normal block at 0x00000199BD66F010, 16 bytes long.
Data: < êé ö > 80 EA E9 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000199BD66F150, 16 bytes long.
Data: <@éé ö > 40 E9 E9 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000199BD66FA10, 16 bytes long.
Data: <øWæ ö > F8 57 E6 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000199BD66FC40, 16 bytes long.
Data: <ØWæ ö > D8 57 E6 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000199BD66F7E0, 16 bytes long.
Data: <P æ ö > 50 04 E6 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000199BD66F600, 16 bytes long.
Data: <0 æ ö > 30 04 E6 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000199BD66F2E0, 16 bytes long.
Data: <à æ ö > E0 02 E6 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000199BD66FAB0, 16 bytes long.
Data: < æ ö > 10 04 E6 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000199BD66FA60, 16 bytes long.
Data: <p æ ö > 70 04 E6 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000199BD66FE20, 16 bytes long.
Data: < Àä ö > 18 C0 E4 1D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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