Task 38598082
| Name | p38_A12_A33_r0_1-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND1972_3 |
| Workunit | 31553235 |
| Created | 8 Apr 2026, 8:54:37 UTC |
| Sent | 8 Apr 2026, 9:22:45 UTC |
| Report deadline | 13 Apr 2026, 9:22:45 UTC |
| Received | 10 Apr 2026, 14:20:23 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643393 |
| Run time | 1 hours 19 min 39 sec |
| CPU time | 1 hours 19 min 39 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,753.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 751.37 MB |
| Peak swap size | 4.16 GB |
| Peak disk usage | 2.98 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>
15:00:59 (4552): wrapper (7.9.26016): starting
15:00:59 (4552): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A12_A33_0.pdb
QB_A12_A33_0.xml
QB_A12_A33.inpcrd
QB_A12_A33_input.yaml
QB_A12_A33.pdb
QB_A12_A33.prmtop
QB_A12_A33_sys.xml
run.bat
run.sh
15:01:00 (4552): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:01:00 (4552): 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\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 'C:\ProgramData\BOINC\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 "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\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_ILLEGAL_ADDRESS (700)
16:18:38 (4552): C:/Windows/system32/cmd.exe exited; CPU time 4779.812500
16:18:38 (4552): app exit status: 0x16
16:18:38 (4552): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 55948817 bytes.
Dumping objects ->
{3835224} normal block at 0x000001E09D443F00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835213} normal block at 0x000001E09D443D40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835202} normal block at 0x000001E09D443BF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835191} normal block at 0x000001E09D443C60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000001E09D4432C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835149} normal block at 0x000001E09D35AF40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835138} normal block at 0x000001E09D39B750, 141 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) : {3835135} normal block at 0x000001E09B776B90, 8 bytes long.
Data: < % à > 00 00 25 9D E0 01 00 00
{3834537} normal block at 0x000001E09D39B410, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000001E09B7766E0, 8 bytes long.
Data: <@¹; à > 40 B9 3B 9D E0 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001E09B7804B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E09B7813F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001E09B781FE0, 16 bytes long.
Data: < -x݈ > 88 2D 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E09B781950, 16 bytes long.
Data: <`-x݈ > 60 2D 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E09B779350, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001E09B782300, 16 bytes long.
Data: <8-x݈ > 38 2D 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E09B781860, 16 bytes long.
Data: < -x݈ > 10 2D 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E09B781CC0, 16 bytes long.
Data: <è,x›à > E8 2C 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E09B782120, 16 bytes long.
Data: <À,x›à > C0 2C 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E09B77B6B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001E09B781E00, 16 bytes long.
Data: < x݈ > 88 13 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E09B779EF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001E09B781BD0, 16 bytes long.
Data: <` x݈ > 60 13 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E09B7819A0, 16 bytes long.
Data: <8 x݈ > 38 13 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E09B782440, 16 bytes long.
Data: < x݈ > 10 13 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E09B781F90, 16 bytes long.
Data: <è x›à > E8 12 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E09B7823F0, 16 bytes long.
Data: <À x›à > C0 12 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E09B781B80, 16 bytes long.
Data: < x݈ > 98 12 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E09B779E90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001E09B782030, 16 bytes long.
Data: <p x݈ > 70 12 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E09B781270, 320 bytes long.
Data: <0 x›à žw›à > 30 20 78 9B E0 01 00 00 90 9E 77 9B E0 01 00 00
{273} normal block at 0x000001E09B781E50, 16 bytes long.
Data: < ,x›à > A0 2C 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E09B7820D0, 16 bytes long.
Data: <x,x݈ > 78 2C 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E09B7792F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001E09B782080, 16 bytes long.
Data: <P,x݈ > 50 2C 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E09B779E30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001E09B781630, 16 bytes long.
Data: < +x݈ > 98 2B 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E09B781F40, 16 bytes long.
Data: <p+x݈ > 70 2B 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E09B781DB0, 16 bytes long.
Data: <H+x݈ > 48 2B 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E09B782170, 16 bytes long.
Data: < +x݈ > 20 2B 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E09B781C70, 16 bytes long.
Data: <ø*x›à > F8 2A 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E09B7823A0, 16 bytes long.
Data: <Ð*x›à > D0 2A 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E09B7815E0, 16 bytes long.
Data: < °w›à > 90 B0 77 9B E0 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E09B77B090, 40 bytes long.
Data: <à x›à @¯5 à > E0 15 78 9B E0 01 00 00 40 AF 35 9D E0 01 00 00
{259} normal block at 0x000001E09B781B30, 16 bytes long.
Data: <°*x›à > B0 2A 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E09B781EF0, 16 bytes long.
Data: < *x݈ > 88 2A 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001E09B779AD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001E09B781540, 16 bytes long.
Data: <`*x݈ > 60 2A 78 9B E0 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001E09B782A60, 992 bytes long.
Data: <@ x›à Кw›à > 40 15 78 9B E0 01 00 00 D0 9A 77 9B E0 01 00 00
{91} normal block at 0x000001E09B779C50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001E09B776E10, 16 bytes long.
Data: <0³w›à > 30 B3 77 9B E0 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001E09B77B330, 40 bytes long.
Data: < nw›à Pœw›à > 10 6E 77 9B E0 01 00 00 50 9C 77 9B E0 01 00 00
{68} normal block at 0x000001E09B776B40, 16 bytes long.
Data: < êI}ö > 80 EA 49 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E09B777090, 16 bytes long.
Data: <@éI}ö > 40 E9 49 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E09B776640, 16 bytes long.
Data: <øWF}ö > F8 57 46 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E09B776820, 16 bytes long.
Data: <ØWF}ö > D8 57 46 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E09B776AF0, 16 bytes long.
Data: <P F}ö > 50 04 46 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E09B776AA0, 16 bytes long.
Data: <0 F}ö > 30 04 46 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E09B776F50, 16 bytes long.
Data: <à F}ö > E0 02 46 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E09B776A00, 16 bytes long.
Data: < F}ö > 10 04 46 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E09B776780, 16 bytes long.
Data: <p F}ö > 70 04 46 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001E09B776FF0, 16 bytes long.
Data: < ÀD}ö > 18 C0 44 7D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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