Task 38642817
| Name | p38_3_A04_A01_r0_4-QUICO_ATM_OpenFF_NAGL_p38_3-2-6-RND8864_0 |
| Workunit | 31589459 |
| Created | 7 May 2026, 3:22:55 UTC |
| Sent | 7 May 2026, 3:22:56 UTC |
| Report deadline | 12 May 2026, 3:22:56 UTC |
| Received | 7 May 2026, 3:31:02 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 32 sec |
| CPU time | 22 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 9,336.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 26.39 MB |
| Peak swap size | 21.32 MB |
| Peak disk usage | 4.18 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>
04:27:32 (1552): wrapper (7.9.26016): starting
04:27:32 (1552): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A01_0.pdb
QB_A04_A01_0.xml
QB_A04_A01.inpcrd
QB_A04_A01_input.yaml
QB_A04_A01.pdb
QB_A04_A01.prmtop
QB_A04_A01_sys.xml
run.bat
run.sh
04:27:33 (1552): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:27:33 (1552): 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\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 'D:\BOINC_DATA\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 "D:\BOINC_DATA\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\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 "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Unknown property 'type' in node ''
04:28:05 (1552): C:/Windows/system32/cmd.exe exited; CPU time 22.875000
04:28:05 (1552): app exit status: 0x16
04:28:05 (1552): 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: 758557 bytes.
Dumping objects ->
{3835247} normal block at 0x00000287AB4E0E60, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835236} normal block at 0x00000287AB625E70, 32 bytes long.
Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835225} normal block at 0x00000287AB6258D0, 32 bytes long.
Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54
{3835214} normal block at 0x00000287AB625870, 32 bytes long.
Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835203} normal block at 0x00000287AB625DB0, 32 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{3835172} normal block at 0x00000287AB4E0AE0, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835161} normal block at 0x00000287AB4EE970, 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) : {3835158} normal block at 0x00000287A9867960, 8 bytes long.
Data: < ©‡ > 00 00 81 A9 87 02 00 00
{3834561} normal block at 0x00000287AB4EEA60, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x00000287A9868860, 8 bytes long.
Data: <à;f«‡ > E0 3B 66 AB 87 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000287A9872BA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000287A985D480, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x00000287A98740E0, 16 bytes long.
Data: < O‡©‡ > 18 4F 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000287A9874270, 16 bytes long.
Data: <ðN‡©‡ > F0 4E 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000287A986D210, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x00000287A98746D0, 16 bytes long.
Data: <ÈN‡©‡ > C8 4E 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000287A9874040, 16 bytes long.
Data: < N‡©‡ > A0 4E 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000287A9873FF0, 16 bytes long.
Data: <xN‡©‡ > 78 4E 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000287A9873FA0, 16 bytes long.
Data: <PN‡©‡ > 50 4E 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000287A986E470, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x00000287A9873E60, 16 bytes long.
Data: < a…©‡ > 88 61 85 A9 87 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000287A986D150, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x00000287A9874130, 16 bytes long.
Data: <`a…©‡ > 60 61 85 A9 87 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000287A9873F50, 16 bytes long.
Data: <8a…©‡ > 38 61 85 A9 87 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000287A9874630, 16 bytes long.
Data: < a…©‡ > 10 61 85 A9 87 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000287A9873E10, 16 bytes long.
Data: <è`…©‡ > E8 60 85 A9 87 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000287A9873DC0, 16 bytes long.
Data: <À`…©‡ > C0 60 85 A9 87 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000287A9873D70, 16 bytes long.
Data: < `…©‡ > 98 60 85 A9 87 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000287A986C790, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x00000287A9874220, 16 bytes long.
Data: <p`…©‡ > 70 60 85 A9 87 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000287A9856070, 320 bytes long.
Data: < B‡©‡ dž©‡ > 20 42 87 A9 87 02 00 00 90 C7 86 A9 87 02 00 00
{278} normal block at 0x00000287A9874B80, 16 bytes long.
Data: <0N‡©‡ > 30 4E 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000287A9874A90, 16 bytes long.
Data: < N‡©‡ > 08 4E 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000287A986D510, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x00000287A9874900, 16 bytes long.
Data: <àM‡©‡ > E0 4D 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000287A986CCD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x00000287A9873C80, 16 bytes long.
Data: <(M‡©‡ > 28 4D 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000287A98741D0, 16 bytes long.
Data: < M‡©‡ > 00 4D 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000287A9873C30, 16 bytes long.
Data: <ØL‡©‡ > D8 4C 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000287A9873D20, 16 bytes long.
Data: <°L‡©‡ > B0 4C 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000287A9874B30, 16 bytes long.
Data: < L‡©‡ > 88 4C 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000287A9873F00, 16 bytes long.
Data: <`L‡©‡ > 60 4C 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000287A98744F0, 16 bytes long.
Data: < æ†©‡ > A0 E6 86 A9 87 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000287A986E6A0, 40 bytes long.
Data: <ðD‡©‡ à N«‡ > F0 44 87 A9 87 02 00 00 E0 0A 4E AB 87 02 00 00
{264} normal block at 0x00000287A9874770, 16 bytes long.
Data: <@L‡©‡ > 40 4C 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000287A9874950, 16 bytes long.
Data: < L‡©‡ > 18 4C 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000287A986D330, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x00000287A9874AE0, 16 bytes long.
Data: <ðK‡©‡ > F0 4B 87 A9 87 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000287A9874BF0, 992 bytes long.
Data: <àJ‡©‡ 0Ó†©‡ > E0 4A 87 A9 87 02 00 00 30 D3 86 A9 87 02 00 00
{96} normal block at 0x00000287A986D030, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x00000287A9867C30, 16 bytes long.
Data: <`膩‡ > 60 E8 86 A9 87 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000287A986E860, 40 bytes long.
Data: <0|†©‡ 0І©‡ > 30 7C 86 A9 87 02 00 00 30 D0 86 A9 87 02 00 00
{73} normal block at 0x00000287A98682C0, 16 bytes long.
Data: < ê$@ö > 80 EA 24 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000287A9868220, 16 bytes long.
Data: <@é$@ö > 40 E9 24 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000287A9867B40, 16 bytes long.
Data: <øW!@ö > F8 57 21 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000287A9868310, 16 bytes long.
Data: <ØW!@ö > D8 57 21 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000287A9868590, 16 bytes long.
Data: <P !@ö > 50 04 21 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000287A98687C0, 16 bytes long.
Data: <0 !@ö > 30 04 21 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000287A9868540, 16 bytes long.
Data: <à !@ö > E0 02 21 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000287A9868270, 16 bytes long.
Data: < !@ö > 10 04 21 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000287A9868630, 16 bytes long.
Data: <p !@ö > 70 04 21 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000287A98679B0, 16 bytes long.
Data: < À @ö > 18 C0 1F 40 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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