Task 38653866
| Name | test_606-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND3887_0 |
| Workunit | 31597745 |
| Created | 24 Oct 2026, 6:18:30 UTC |
| Sent | 24 Oct 2026, 6:21:50 UTC |
| Report deadline | 29 Oct 2026, 6:21:50 UTC |
| Received | 25 Oct 2026, 9:23:52 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 598601 |
| Run time | 5 hours 2 min 50 sec |
| CPU time | 4 hours 48 min 16 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 2,987.27 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 683.98 MB |
| Peak swap size | 5.20 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
Det g�r inte att k�ra (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:09:04 (32988): wrapper (7.9.26016): starting
11:09:04 (32988): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
11:09:08 (32988): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:09:09 (32988): 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\12\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\12\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835172} normal block at 0x00000241D55814A0, 8 bytes long.
Data: < A > 00 00 A1 D5 41 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x00000241D707E750, 1080 bytes long.
Data: <X. > 58 2E 00 00 CD CD CD CD 1C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000241D5576010, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:12:52 (22292): wrapper (7.9.26016): starting
11:12:53 (22292): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1519} normal block at 0x000001EDB4DD56C0, 8 bytes long.
Data: < ! > 00 00 21 B5 ED 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001EDB4DD6730, 1080 bytes long.
Data: <` P > 60 0F 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
11:24:19 (35348): wrapper (7.9.26016): starting
11:24:19 (35348): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1519} normal block at 0x000002D249455850, 8 bytes long.
Data: < I > 00 00 86 49 D2 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000002D249456730, 1080 bytes long.
Data: <t5 > 74 35 00 00 CD CD CD CD BC 00 00 00 00 00 00 00
Object dump complete.
11:42:07 (2844): wrapper (7.9.26016): starting
11:42:07 (2844): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1519} normal block at 0x000001D79CFB53A0, 8 bytes long.
Data: < P > 00 00 50 9D D7 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001D79CFB6730, 1080 bytes long.
Data: < \ > E8 81 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
15:16:03 (35788): wrapper (7.9.26016): starting
15:16:03 (35788): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1519} normal block at 0x00000268CB4160C0, 8 bytes long.
Data: < } h > 00 00 7D CB 68 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000268CB416730, 1080 bytes long.
Data: < W T > 8C 57 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
18:05:24 (14384): wrapper (7.9.26016): starting
18:05:24 (14384): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1519} normal block at 0x000002036B9F65B0, 8 bytes long.
Data: < k > 00 00 E5 6B 03 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000002036B9F7580, 1080 bytes long.
Data: < k H > F8 6B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
09:35:24 (11268): wrapper (7.9.26016): starting
09:35:24 (11268): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\12\tmp already exists.
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\12\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\12\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\12\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\12\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
10:22:17 (11268): C:/Windows/system32/cmd.exe exited; CPU time 2456.187500
10:22:17 (11268): app exit status: 0x16
10:22:17 (11268): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 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: 53540065 bytes.
Dumping objects ->
{1552} normal block at 0x0000023C29DB45E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1541} normal block at 0x0000023C29DB46C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x0000023C29DB4B90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1519} normal block at 0x0000023C29DB4650, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1508} normal block at 0x0000023C29DB4B20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1477} normal block at 0x0000023C29DAF5E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1464} normal block at 0x0000023C29DB56F0, 8 bytes long.
Data: < *< > 00 00 17 2A 3C 02 00 00
{306} normal block at 0x0000023C29DB60F0, 8 bytes long.
Data: < e )< > D0 65 DB 29 3C 02 00 00
{297} normal block at 0x0000023C29D9FAC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000023C29DB5790, 16 bytes long.
Data: < d )< > D8 64 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023C29DB5F10, 16 bytes long.
Data: < d )< > B0 64 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023C29DB0E40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000023C29DB5E20, 16 bytes long.
Data: < d )< > 88 64 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023C29DB52E0, 16 bytes long.
Data: <`d )< > 60 64 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023C29DB5DD0, 16 bytes long.
Data: <8d )< > 38 64 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023C29DB5D80, 16 bytes long.
Data: < d )< > 10 64 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023C29DB4960, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000023C29DB5560, 16 bytes long.
Data: <( )< > 28 0A DA 29 3C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023C29DB13E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000023C29DB5D30, 16 bytes long.
Data: < )< > 00 0A DA 29 3C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023C29DB5CE0, 16 bytes long.
Data: < )< > D8 09 DA 29 3C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023C29DB5380, 16 bytes long.
Data: < )< > B0 09 DA 29 3C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023C29DB5EC0, 16 bytes long.
Data: < )< > 88 09 DA 29 3C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023C29DB5A60, 16 bytes long.
Data: <` )< > 60 09 DA 29 3C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023C29DB5740, 16 bytes long.
Data: <8 )< > 38 09 DA 29 3C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023C29DB09C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000023C29DB5E70, 16 bytes long.
Data: < )< > 10 09 DA 29 3C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023C29DA0910, 320 bytes long.
Data: <p^ )< )< > 70 5E DB 29 3C 02 00 00 C0 09 DB 29 3C 02 00 00
{276} normal block at 0x0000023C29DB5470, 16 bytes long.
Data: < c )< > F0 63 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023C29DB5C90, 16 bytes long.
Data: < c )< > C8 63 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023C29DB1560, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000023C29DB58D0, 16 bytes long.
Data: < c )< > A0 63 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023C29DB0C00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000023C29DB5C40, 16 bytes long.
Data: < b )< > E8 62 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023C29DB5BA0, 16 bytes long.
Data: < b )< > C0 62 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023C29DB56A0, 16 bytes long.
Data: < b )< > 98 62 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023C29DB59C0, 16 bytes long.
Data: <pb )< > 70 62 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023C29DB5330, 16 bytes long.
Data: <Hb )< > 48 62 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023C29DB5B00, 16 bytes long.
Data: < b )< > 20 62 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023C29DB5B50, 16 bytes long.
Data: <0G )< > 30 47 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023C29DB4730, 40 bytes long.
Data: <P[ )< )< > 50 5B DB 29 3C 02 00 00 E0 F5 DA 29 3C 02 00 00
{262} normal block at 0x0000023C29DB53D0, 16 bytes long.
Data: < b )< > 00 62 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023C29DB5A10, 16 bytes long.
Data: < a )< > D8 61 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023C29DB0BA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000023C29DB5AB0, 16 bytes long.
Data: < a )< > B0 61 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023C29DB61B0, 992 bytes long.
Data: < Z )< )< > B0 5A DB 29 3C 02 00 00 A0 0B DB 29 3C 02 00 00
{94} normal block at 0x0000023C29DB11A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000023C29DB02E0, 16 bytes long.
Data: < I )< > D0 49 DB 29 3C 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000023C29DB49D0, 40 bytes long.
Data: < )< )< > E0 02 DB 29 3C 02 00 00 A0 11 DB 29 3C 02 00 00
{71} normal block at 0x0000023C29DB03D0, 16 bytes long.
Data: < , > 80 EA 2C E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023C29DAFFC0, 16 bytes long.
Data: <@ , > 40 E9 2C E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023C29DB04C0, 16 bytes long.
Data: < W) > F8 57 29 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023C29DB0010, 16 bytes long.
Data: < W) > D8 57 29 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023C29DAF7F0, 16 bytes long.
Data: <P ) > 50 04 29 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023C29DB0380, 16 bytes long.
Data: <0 ) > 30 04 29 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023C29DAFED0, 16 bytes long.
Data: < ) > E0 02 29 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023C29DAFBB0, 16 bytes long.
Data: < ) > 10 04 29 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023C29DAF930, 16 bytes long.
Data: <p ) > 70 04 29 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023C29DB0330, 16 bytes long.
Data: < ' > 18 C0 27 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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