Task 38584365
| Name | HIF2A_A41_A01_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND8210_2 |
| Workunit | 31546067 |
| Created | 17 Dec 2025, 11:08:00 UTC |
| Sent | 17 Dec 2025, 11:08:08 UTC |
| Report deadline | 22 Dec 2025, 11:08:08 UTC |
| Received | 17 Dec 2025, 12:26:53 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 630577 |
| Run time | 1 hours 16 min 51 sec |
| CPU time | 1 hours 7 min 5 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 19,416.32 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 463.12 MB |
| Peak swap size | 6.49 GB |
| Peak disk usage | 2.88 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:09:54 (2532): wrapper (7.9.26016): starting
12:09:54 (2532): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A01_0.pdb
QB_A41_A01_0.xml
QB_A41_A01_equil.pdb
QB_A41_A01.inpcrd
QB_A41_A01_input.yaml
QB_A41_A01_mdlambda.pdb
QB_A41_A01_min.pdb
QB_A41_A01_npt.pdb
QB_A41_A01.pdb
QB_A41_A01.prmtop
QB_A41_A01_sys.xml
QB_A41_A01_therm.pdb
run.bat
run.sh
12:09:55 (2532): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:09:55 (2532): 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:\BoincData\slots\8\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:\BoincData\slots\8\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:\BoincData\slots\8\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BoincData\slots\8\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "D:\BoincData\slots\8\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "D:\BoincData\slots\8\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "D:\BoincData\slots\8\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BoincData\slots\8\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BoincData\slots\8\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BoincData\slots\8\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_UNKNOWN (999)
13:25:22 (2532): C:/Windows/system32/cmd.exe exited; CPU time 4025.781250
13:25:22 (2532): app exit status: 0x16
13:25:22 (2532): called boinc_finish(195)
0 bytes in 0 Free Blocks.
380 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: 60892947 bytes.
Dumping objects ->
{3835264} normal block at 0x00000198736E1560, 48 bytes long.
Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74
{3835253} normal block at 0x0000019873824D10, 32 bytes long.
Data: <HOME=D:\BoincDat> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 44 61 74
{3835242} normal block at 0x0000019873824650, 32 bytes long.
Data: <TMP=D:\BoincData> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 61
{3835231} normal block at 0x00000198738256D0, 32 bytes long.
Data: <TEMP=D:\BoincDat> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74
{3835220} normal block at 0x0000019873825130, 32 bytes long.
Data: <TMPDIR=D:\BoincD> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 44
{3835189} normal block at 0x00000198736E0A00, 48 bytes long.
Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74
{3835178} normal block at 0x00000198737ED810, 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) : {3835175} normal block at 0x0000019871CC6760, 8 bytes long.
Data: < Æq > 00 00 C6 71 98 01 00 00
{3834555} normal block at 0x00000198737ED760, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x0000019871CC6BC0, 8 bytes long.
Data: <`Ïns > 60 CF 6E 73 98 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000019871CD14C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019871CBB4C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000019871CD2640, 16 bytes long.
Data: <8<Íq > 38 3C CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019871CD25A0, 16 bytes long.
Data: < <Íq > 10 3C CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019871CCD0A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000019871CD2D70, 16 bytes long.
Data: <è;Íq > E8 3B CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019871CD27D0, 16 bytes long.
Data: <À;Íq > C0 3B CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019871CD2C80, 16 bytes long.
Data: < ;Íq > 98 3B CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019871CD25F0, 16 bytes long.
Data: <p;Íq > 70 3B CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019871CCBAA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000019871CD2F00, 16 bytes long.
Data: <è¼Ëq > E8 BC CB 71 98 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019871CCCEC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000019871CD2D20, 16 bytes long.
Data: <À¼Ëq > C0 BC CB 71 98 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019871CD3180, 16 bytes long.
Data: < ¼Ëq > 98 BC CB 71 98 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019871CD26E0, 16 bytes long.
Data: <p¼Ëq > 70 BC CB 71 98 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019871CD2AF0, 16 bytes long.
Data: <H¼Ëq > 48 BC CB 71 98 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019871CD2960, 16 bytes long.
Data: < ¼Ëq > 20 BC CB 71 98 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019871CD2E60, 16 bytes long.
Data: <ø»Ëq > F8 BB CB 71 98 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019871CCD460, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000019871CD3270, 16 bytes long.
Data: <лËq > D0 BB CB 71 98 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019871CBBBD0, 320 bytes long.
Data: <p2Íq `ÔÌq > 70 32 CD 71 98 01 00 00 60 D4 CC 71 98 01 00 00
{271} normal block at 0x0000019871CD2870, 16 bytes long.
Data: <P;Íq > 50 3B CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019871CD34A0, 16 bytes long.
Data: <(;Íq > 28 3B CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019871CCDD00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000019871CD2FA0, 16 bytes long.
Data: < ;Íq > 00 3B CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019871CCD700, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000019871CD2780, 16 bytes long.
Data: <H:Íq > 48 3A CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019871CD3450, 16 bytes long.
Data: < :Íq > 20 3A CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019871CD2B40, 16 bytes long.
Data: <ø9Íq > F8 39 CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019871CD2C30, 16 bytes long.
Data: <Ð9Íq > D0 39 CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019871CD2FF0, 16 bytes long.
Data: <¨9Íq > A8 39 CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019871CD2910, 16 bytes long.
Data: < 9Íq > 80 39 CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019871CD2EB0, 16 bytes long.
Data: < »Ìq > 10 BB CC 71 98 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000019871CCBB10, 40 bytes long.
Data: <°.Íq ns > B0 2E CD 71 98 01 00 00 00 0A 6E 73 98 01 00 00
{257} normal block at 0x0000019871CD31D0, 16 bytes long.
Data: <`9Íq > 60 39 CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019871CD2E10, 16 bytes long.
Data: <89Íq > 38 39 CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000019871CCDB80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000019871CD3310, 16 bytes long.
Data: < 9Íq > 10 39 CD 71 98 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000019871CD3910, 992 bytes long.
Data: < 3Íq ÛÌq > 10 33 CD 71 98 01 00 00 80 DB CC 71 98 01 00 00
{89} normal block at 0x0000019871CCDBE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000019871CC76B0, 16 bytes long.
Data: <0ºÌq > 30 BA CC 71 98 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000019871CCBA30, 40 bytes long.
Data: <°vÌq àÛÌq > B0 76 CC 71 98 01 00 00 E0 DB CC 71 98 01 00 00
{66} normal block at 0x0000019871CC6D00, 16 bytes long.
Data: < ꉿ÷ > 80 EA 89 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019871CC7660, 16 bytes long.
Data: <@鉿÷ > 40 E9 89 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019871CC7610, 16 bytes long.
Data: <øW†¿÷ > F8 57 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019871CC6AD0, 16 bytes long.
Data: <ØW†¿÷ > D8 57 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019871CC75C0, 16 bytes long.
Data: <P †¿÷ > 50 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019871CC6800, 16 bytes long.
Data: <0 †¿÷ > 30 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019871CC6F80, 16 bytes long.
Data: <à †¿÷ > E0 02 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019871CC7520, 16 bytes long.
Data: < †¿÷ > 10 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000019871CC6E40, 16 bytes long.
Data: <p †¿÷ > 70 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000019871CC6A80, 16 bytes long.
Data: < À„¿÷ > 18 C0 84 BF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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