Task 38596151
| Name | TYK2_A08_A06_r0_4-QUICO_ATM_OFF23_NAGL_TYK2-0-4-RND3531_1 |
| Workunit | 31552154 |
| Created | 24 Mar 2026, 11:07:18 UTC |
| Sent | 24 Mar 2026, 11:07:27 UTC |
| Report deadline | 29 Mar 2026, 11:07:27 UTC |
| Received | 24 Mar 2026, 11:11:12 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 628418 |
| Run time | 1 min 34 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 9,336.54 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 203.01 MB |
| Peak swap size | 9.03 GB |
| Peak disk usage | 1.44 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>
11:09:40 (25924): wrapper (7.9.26016): starting
11:09:40 (25924): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A06_0.pdb
QB_A08_A06_0.xml
QB_A08_A06.inpcrd
QB_A08_A06_input.yaml
QB_A08_A06.pdb
QB_A08_A06.prmtop
QB_A08_A06_sys.xml
run.bat
run.sh
11:09:42 (25924): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:09:42 (25924): 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 'D:\BOINC_DATA\slots\2\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 'D:\BOINC_DATA\slots\2\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 "D:\BOINC_DATA\slots\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINC_DATA\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\2\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 "D:\BOINC_DATA\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "D:\BOINC_DATA\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "D:\BOINC_DATA\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "D:\BOINC_DATA\slots\2\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "D:\BOINC_DATA\slots\2\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\2\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\2\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
11:10:00 (25924): C:/Windows/system32/cmd.exe exited; CPU time 1.984375
11:10:00 (25924): app exit status: 0x16
11:10:00 (25924): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 566157 bytes.
Dumping objects ->
{3835249} normal block at 0x00000181AB9B0D10, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835238} normal block at 0x00000181ABAFA430, 32 bytes long.
Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835227} normal block at 0x00000181ABAFA5B0, 32 bytes long.
Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54
{3835216} normal block at 0x00000181ABAFA790, 32 bytes long.
Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835205} normal block at 0x00000181ABAFA6D0, 32 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{3835174} normal block at 0x00000181AB9B13A0, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835163} normal block at 0x00000181ABB074E0, 180 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) : {3835160} normal block at 0x00000181A9DAC370, 8 bytes long.
Data: < Ø© > 00 00 D8 A9 81 01 00 00
{3834563} normal block at 0x00000181ABB068B0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x00000181A9DAC5F0, 8 bytes long.
Data: <0ðÙ© > 30 F0 D9 A9 81 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000181A9DB6930, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000181A9D9D480, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x00000181A9DB8320, 16 bytes long.
Data: <ØŽÛ© > D8 8E DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000181A9DB85A0, 16 bytes long.
Data: <°ŽÛ© > B0 8E DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000181A9DB0D30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x00000181A9DB89B0, 16 bytes long.
Data: < ŽÛ© > 88 8E DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000181A9DB82D0, 16 bytes long.
Data: <`ŽÛ© > 60 8E DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000181A9DB8280, 16 bytes long.
Data: <8ŽÛ© > 38 8E DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000181A9DB8B40, 16 bytes long.
Data: < ŽÛ© > 10 8E DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000181A9DB2640, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x00000181A9DB8190, 16 bytes long.
Data: <H Ú© > 48 04 DA A9 81 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000181A9DB06D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x00000181A9DB8AF0, 16 bytes long.
Data: < Ú© > 20 04 DA A9 81 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000181A9DB8140, 16 bytes long.
Data: <ø Ú© > F8 03 DA A9 81 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000181A9DB8690, 16 bytes long.
Data: <Ð Ú© > D0 03 DA A9 81 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000181A9DB80F0, 16 bytes long.
Data: <¨ Ú© > A8 03 DA A9 81 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000181A9DB7FB0, 16 bytes long.
Data: < Ú© > 80 03 DA A9 81 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000181A9DB81E0, 16 bytes long.
Data: <X Ú© > 58 03 DA A9 81 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000181A9DB0970, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x00000181A9DB85F0, 16 bytes long.
Data: <0 Ú© > 30 03 DA A9 81 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000181A9DA0330, 320 bytes long.
Data: <ð…Û© p Û© > F0 85 DB A9 81 01 00 00 70 09 DB A9 81 01 00 00
{279} normal block at 0x00000181A9DB7E70, 16 bytes long.
Data: <ð Û© > F0 8D DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000181A9DB7DD0, 16 bytes long.
Data: <È Û© > C8 8D DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000181A9DB12D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000181A9DB80A0, 16 bytes long.
Data: <  Û© > A0 8D DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000181A9DB0790, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x00000181A9DB8AA0, 16 bytes long.
Data: <èŒÛ© > E8 8C DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000181A9DB8A50, 16 bytes long.
Data: <ÀŒÛ© > C0 8C DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000181A9DB7F60, 16 bytes long.
Data: < ŒÛ© > 98 8C DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000181A9DB8550, 16 bytes long.
Data: <pŒÛ© > 70 8C DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000181A9DB8460, 16 bytes long.
Data: <HŒÛ© > 48 8C DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000181A9DB8A00, 16 bytes long.
Data: < ŒÛ© > 20 8C DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000181A9DB84B0, 16 bytes long.
Data: <0*Û© > 30 2A DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000181A9DB2A30, 40 bytes long.
Data: <°„Û©   ›« > B0 84 DB A9 81 01 00 00 A0 13 9B AB 81 01 00 00
{265} normal block at 0x00000181A9DB7EC0, 16 bytes long.
Data: < ŒÛ© > 00 8C DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000181A9DB8410, 16 bytes long.
Data: <Ø‹Û© > D8 8B DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000181A9DB1270, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x00000181A9DB8960, 16 bytes long.
Data: <°‹Û© > B0 8B DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000181A9DB8BB0, 992 bytes long.
Data: <`‰Û© p Û© > 60 89 DB A9 81 01 00 00 70 12 DB A9 81 01 00 00
{97} normal block at 0x00000181A9DB0BB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x00000181A9DABD30, 16 bytes long.
Data: <P)Û© > 50 29 DB A9 81 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000181A9DB2950, 40 bytes long.
Data: <0½Ú© ° Û© > 30 BD DA A9 81 01 00 00 B0 0B DB A9 81 01 00 00
{74} normal block at 0x00000181A9DAC7D0, 16 bytes long.
Data: < êkG÷ > 80 EA 6B 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000181A9DAC2D0, 16 bytes long.
Data: <@ékG÷ > 40 E9 6B 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000181A9DAB9C0, 16 bytes long.
Data: <øWhG÷ > F8 57 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000181A9DAC5A0, 16 bytes long.
Data: <ØWhG÷ > D8 57 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000181A9DABFB0, 16 bytes long.
Data: <P hG÷ > 50 04 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000181A9DAC6E0, 16 bytes long.
Data: <0 hG÷ > 30 04 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000181A9DAC690, 16 bytes long.
Data: <à hG÷ > E0 02 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000181A9DABC90, 16 bytes long.
Data: < hG÷ > 10 04 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000181A9DABB50, 16 bytes long.
Data: <p hG÷ > 70 04 68 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000181A9DABF60, 16 bytes long.
Data: < ÀfG÷ > 18 C0 66 47 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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