Task 38620222

Name p38_2_A04_A01_r0_4-QUICO_ATM_GAFF2_NAGL_p38_2-4-6-RND0056_0
Workunit 31571478
Created 19 Apr 2026, 6:46:35 UTC
Sent 19 Apr 2026, 6:46:39 UTC
Report deadline 24 Apr 2026, 6:46:39 UTC
Received 19 Apr 2026, 7:03:55 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652138
Run time 10 min 42 sec
CPU time 8 min 54 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 22,071.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 651.57 MB
Peak swap size 11.33 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
���̃I�y���[�e�B���O �V�X�e���ł� (null) �͎��s����܂���B
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:52:53 (23832): wrapper (7.9.26016): starting
15:52:53 (23832): 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
15:52:55 (23832): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:52:55 (23832): 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 'F:\BOINC\BOINC_Data\slots\1\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 'F:\BOINC\BOINC_Data\slots\1\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 "F:\BOINC\BOINC_Data\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "F:\BOINC\BOINC_Data\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "F:\BOINC\BOINC_Data\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "F:\BOINC\BOINC_Data\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "F:\BOINC\BOINC_Data\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "F:\BOINC\BOINC_Data\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
    (pos,vel) = job['openmm_worker'].get_posvel()
                ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "F:\BOINC\BOINC_Data\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
    state = self.context.getState(getPositions=True, getVelocities=True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "F:\BOINC\BOINC_Data\slots\1\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)
16:02:38 (23832): C:/Windows/system32/cmd.exe exited; CPU time 534.359375
16:02:38 (23832): app exit status: 0x16
16:02:38 (23832): called boinc_finish(195)
0 bytes in 0 Free Blocks.
240 bytes in 6 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: 11597499 bytes.
Dumping objects ->
{3835339} normal block at 0x000001944E007ED0, 48 bytes long.
 Data: <PATH=F:\BOINC\BO> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F 
{3835328} normal block at 0x000001944E008020, 48 bytes long.
 Data: <HOME=F:\BOINC\BO> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F 
{3835317} normal block at 0x00000194500C2C20, 32 bytes long.
 Data: <TMP=F:\BOINC\BOI> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F 49 
{3835306} normal block at 0x000001944E007E60, 48 bytes long.
 Data: <TEMP=F:\BOINC\BO> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F 
{3835295} normal block at 0x000001944E007F40, 48 bytes long.
 Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C 
{3835264} normal block at 0x0000019450079290, 64 bytes long.
 Data: <PATH=F:\BOINC\BO> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F 
..\api\boinc_api.cpp(309) : {3835251} normal block at 0x000001944DFFD9B0, 8 bytes long.
 Data: <   M    > 00 00 F8 4D 94 01 00 00 
{3834041} normal block at 0x000001944DFFD820, 8 bytes long.
 Data: <   M    > E0 1C FF 4D 94 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001944DFF4DB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001944DFF5CA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001944E008B00, 16 bytes long.
 Data: <   N            > 88 9B 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001944E008740, 16 bytes long.
 Data: <`  N            > 60 9B 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001944E002820, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001944E0086F0, 16 bytes long.
 Data: <8  N            > 38 9B 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001944E0095A0, 16 bytes long.
 Data: <   N            > 10 9B 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001944E008880, 16 bytes long.
 Data: <   N            > E8 9A 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001944E0093C0, 16 bytes long.
 Data: <&#192;  N            > C0 9A 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001944E008090, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001944E008AB0, 16 bytes long.
 Data: < 3 M            > F8 33 FF 4D 94 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001944E003300, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001944E009370, 16 bytes long.
 Data: <&#208;3 M            > D0 33 FF 4D 94 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001944E009280, 16 bytes long.
 Data: <&#168;3 M            > A8 33 FF 4D 94 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001944E0091E0, 16 bytes long.
 Data: < 3 M            > 80 33 FF 4D 94 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001944E009190, 16 bytes long.
 Data: <X3 M            > 58 33 FF 4D 94 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001944E009140, 16 bytes long.
 Data: <03 M            > 30 33 FF 4D 94 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001944E009500, 16 bytes long.
 Data: < 3 M            > 08 33 FF 4D 94 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001944E003480, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001944E0090F0, 16 bytes long.
 Data: < 2 M            > E0 32 FF 4D 94 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001944DFF32E0, 320 bytes long.
 Data: <   N     4 N    > F0 90 00 4E 94 01 00 00 80 34 00 4E 94 01 00 00 
{272} normal block at 0x000001944E0090A0, 16 bytes long.
 Data: <   N            > A0 9A 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001944E0092D0, 16 bytes long.
 Data: <x  N            > 78 9A 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001944E002E80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001944E009320, 16 bytes long.
 Data: <P  N            > 50 9A 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001944E003000, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001944E009050, 16 bytes long.
 Data: <   N            > 98 99 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001944E008E20, 16 bytes long.
 Data: <p  N            > 70 99 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001944E009000, 16 bytes long.
 Data: <H  N            > 48 99 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001944E008A10, 16 bytes long.
 Data: <   N            > 20 99 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001944E008DD0, 16 bytes long.
 Data: <   N            > F8 98 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001944E008970, 16 bytes long.
 Data: <&#208;  N            > D0 98 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001944E008BA0, 16 bytes long.
 Data: <P{ N            > 50 7B 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001944E007B50, 40 bytes long.
 Data: <   N       P    > A0 8B 00 4E 94 01 00 00 90 92 07 50 94 01 00 00 
{258} normal block at 0x000001944E009410, 16 bytes long.
 Data: <&#176;  N            > B0 98 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001944E008F10, 16 bytes long.
 Data: <   N            > 88 98 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001944E0027C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001944E0088D0, 16 bytes long.
 Data: <`  N            > 60 98 00 4E 94 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001944E009860, 992 bytes long.
 Data: <&#208;  N    &#192;' N    > D0 88 00 4E 94 01 00 00 C0 27 00 4E 94 01 00 00 
{90} normal block at 0x000001944E002B20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001944DFFE270, 16 bytes long.
 Data: <&#208;* M            > D0 2A FF 4D 94 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001944DFF2AD0, 40 bytes long.
 Data: <p  M     + N    > 70 E2 FF 4D 94 01 00 00 20 2B 00 4E 94 01 00 00 
{65} normal block at 0x000001944DFFD7D0, 16 bytes long.
 Data: <   &#219;            > 80 EA 1D DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001944DFFE1D0, 16 bytes long.
 Data: <@  &#219;            > 40 E9 1D DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001944DFFDE10, 16 bytes long.
 Data: < W &#219;            > F8 57 1A DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001944DFFE400, 16 bytes long.
 Data: <&#216;W &#219;            > D8 57 1A DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001944DFFD8C0, 16 bytes long.
 Data: <P  &#219;            > 50 04 1A DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001944DFFE3B0, 16 bytes long.
 Data: <0  &#219;            > 30 04 1A DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001944DFFD6E0, 16 bytes long.
 Data: <   &#219;            > E0 02 1A DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001944DFFDEB0, 16 bytes long.
 Data: <   &#219;            > 10 04 1A DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001944DFFDBE0, 16 bytes long.
 Data: <p  &#219;            > 70 04 1A DB F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001944DFFDE60, 16 bytes long.
 Data: < &#192; &#219;            > 18 C0 18 DB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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