Task 38596015
| Name | TYK2_A03_A04_r0_2-QUICO_ATM_OFF23_NAGL_TYK2-0-4-RND0380_0 |
| Workunit | 31552112 |
| Created | 24 Mar 2026, 10:58:57 UTC |
| Sent | 24 Mar 2026, 10:59:08 UTC |
| Report deadline | 29 Mar 2026, 10:59:08 UTC |
| Received | 24 Mar 2026, 11:04:53 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 594998 |
| Run time | 2 min 17 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 29,038.61 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 349.59 MB |
| Peak swap size | 12.19 GB |
| Peak disk usage | 2.78 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
06:01:20 (144224): wrapper (7.9.26016): starting
06:01:20 (144224): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A04_0.pdb
QB_A03_A04_0.xml
QB_A03_A04.inpcrd
QB_A03_A04_input.yaml
QB_A03_A04.pdb
QB_A03_A04.prmtop
QB_A03_A04_sys.xml
run.bat
run.sh
06:01:21 (144224): Library/usr/bin/tar.exe exited; CPU time 0.031250
06:01:21 (144224): 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 'M:\00_boinc\31416\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 'M:\00_boinc\31416\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 "M:\00_boinc\31416\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "M:\00_boinc\31416\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "M:\00_boinc\31416\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 "M:\00_boinc\31416\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "M:\00_boinc\31416\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "M:\00_boinc\31416\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "M:\00_boinc\31416\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "M:\00_boinc\31416\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "M:\00_boinc\31416\slots\0\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "M:\00_boinc\31416\slots\0\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
06:02:47 (144224): C:/Windows/system32/cmd.exe exited; CPU time 0.625000
06:02:47 (144224): app exit status: 0x16
06:02:47 (144224): called boinc_finish(195)
0 bytes in 0 Free Blocks.
552 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: 1850805 bytes.
Dumping objects ->
{3835626} normal block at 0x0000018026021520, 48 bytes long.
Data: <PATH=M:\00_boinc> 50 41 54 48 3D 4D 3A 5C 30 30 5F 62 6F 69 6E 63
{3835615} normal block at 0x00000180261643D0, 32 bytes long.
Data: <HOME=M:\00_boinc> 48 4F 4D 45 3D 4D 3A 5C 30 30 5F 62 6F 69 6E 63
{3835604} normal block at 0x0000018026163B30, 32 bytes long.
Data: <TMP=M:\00_boinc\> 54 4D 50 3D 4D 3A 5C 30 30 5F 62 6F 69 6E 63 5C
{3835593} normal block at 0x00000180261638F0, 32 bytes long.
Data: <TEMP=M:\00_boinc> 54 45 4D 50 3D 4D 3A 5C 30 30 5F 62 6F 69 6E 63
{3835582} normal block at 0x00000180260211A0, 48 bytes long.
Data: <TMPDIR=M:\00_boi> 54 4D 50 44 49 52 3D 4D 3A 5C 30 30 5F 62 6F 69
{3835551} normal block at 0x0000018026020B80, 48 bytes long.
Data: <PATH=M:\00_boinc> 50 41 54 48 3D 4D 3A 5C 30 30 5F 62 6F 69 6E 63
{3835540} normal block at 0x0000018026176920, 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) : {3835537} normal block at 0x00000180244BA1E0, 8 bytes long.
Data: < F$ > 00 00 46 24 80 01 00 00
{3834754} normal block at 0x0000018026176BF0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833995} normal block at 0x00000180244BA190, 8 bytes long.
Data: <0„ & > 30 84 17 26 80 01 00 00
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x00000180244B23D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{314} normal block at 0x00000180244B3AB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{313} normal block at 0x00000180244C7F60, 16 bytes long.
Data: <¨‘L$ > A8 91 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x00000180244C8D70, 16 bytes long.
Data: < ‘L$ > 80 91 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x00000180244C1480, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{310} normal block at 0x00000180244C8CD0, 16 bytes long.
Data: <X‘L$ > 58 91 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x00000180244C8370, 16 bytes long.
Data: <0‘L$ > 30 91 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x00000180244C8E10, 16 bytes long.
Data: < ‘L$ > 08 91 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x00000180244C80A0, 16 bytes long.
Data: <à L$ > E0 90 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x00000180244C2CB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{305} normal block at 0x00000180244C8C80, 16 bytes long.
Data: <x K$ > 78 14 4B 24 80 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000180244C1B40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{303} normal block at 0x00000180244C8BE0, 16 bytes long.
Data: <P K$ > 50 14 4B 24 80 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000180244C8AF0, 16 bytes long.
Data: <( K$ > 28 14 4B 24 80 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000180244C8960, 16 bytes long.
Data: < K$ > 00 14 4B 24 80 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000180244C8910, 16 bytes long.
Data: <Ø K$ > D8 13 4B 24 80 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000180244C8320, 16 bytes long.
Data: <° K$ > B0 13 4B 24 80 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000180244C8B90, 16 bytes long.
Data: < K$ > 88 13 4B 24 80 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000180244C1900, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{295} normal block at 0x00000180244C8870, 16 bytes long.
Data: <` K$ > 60 13 4B 24 80 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000180244B1360, 320 bytes long.
Data: <p L$ L$ > 70 88 4C 24 80 01 00 00 00 19 4C 24 80 01 00 00
{293} normal block at 0x00000180244C8730, 16 bytes long.
Data: <À L$ > C0 90 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000180244C8550, 16 bytes long.
Data: < L$ > 98 90 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000180244C1660, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{290} normal block at 0x00000180244C8A00, 16 bytes long.
Data: <p L$ > 70 90 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000180244C1F60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{288} normal block at 0x00000180244C89B0, 16 bytes long.
Data: <¸ L$ > B8 8F 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000180244C88C0, 16 bytes long.
Data: < L$ > 90 8F 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000180244C86E0, 16 bytes long.
Data: <h L$ > 68 8F 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000180244C8AA0, 16 bytes long.
Data: <@ L$ > 40 8F 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000180244C84B0, 16 bytes long.
Data: < L$ > 18 8F 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000180244C7F10, 16 bytes long.
Data: <ðŽL$ > F0 8E 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000180244C7EC0, 16 bytes long.
Data: <@,L$ > 40 2C 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000180244C2C40, 40 bytes long.
Data: <À~L$ & > C0 7E 4C 24 80 01 00 00 80 0B 02 26 80 01 00 00
{279} normal block at 0x00000180244C8640, 16 bytes long.
Data: <ÐŽL$ > D0 8E 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000180244C80F0, 16 bytes long.
Data: <¨ŽL$ > A8 8E 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000180244C14E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{276} normal block at 0x00000180244C8140, 16 bytes long.
Data: < ŽL$ > 80 8E 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000180244C8E80, 992 bytes long.
Data: <@ L$ à L$ > 40 81 4C 24 80 01 00 00 E0 14 4C 24 80 01 00 00
{111} normal block at 0x00000180244C1720, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{110} normal block at 0x00000180244BA140, 16 bytes long.
Data: <Ð+L$ > D0 2B 4C 24 80 01 00 00 00 00 00 00 00 00 00 00
{109} normal block at 0x00000180244C2BD0, 40 bytes long.
Data: <@¡K$ L$ > 40 A1 4B 24 80 01 00 00 20 17 4C 24 80 01 00 00
{88} normal block at 0x00000180244BA780, 16 bytes long.
Data: < ê ´÷ > 80 EA 1E B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000180244BAE60, 16 bytes long.
Data: <@é ´÷ > 40 E9 1E B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000180244BABE0, 16 bytes long.
Data: <øW ´÷ > F8 57 1B B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000180244BAC30, 16 bytes long.
Data: <ØW ´÷ > D8 57 1B B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000180244BAF00, 16 bytes long.
Data: <P ´÷ > 50 04 1B B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x00000180244BB090, 16 bytes long.
Data: <0 ´÷ > 30 04 1B B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x00000180244BAA00, 16 bytes long.
Data: <à ´÷ > E0 02 1B B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x00000180244BACD0, 16 bytes long.
Data: < ´÷ > 10 04 1B B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x00000180244BA3C0, 16 bytes long.
Data: <p ´÷ > 70 04 1B B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x00000180244BA9B0, 16 bytes long.
Data: < À ´÷ > 18 C0 19 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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