Task 38620199
| Name | p38_2_A05_A33_r0_3-QUICO_ATM_OpenFF_NAGL_p38_2-4-6-RND3854_0 |
| Workunit | 31571459 |
| Created | 19 Apr 2026, 6:33:09 UTC |
| Sent | 19 Apr 2026, 6:33:16 UTC |
| Report deadline | 24 Apr 2026, 6:33:16 UTC |
| Received | 21 Apr 2026, 7:33:30 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 641248 |
| Run time | 7 hours 21 min 32 sec |
| CPU time | 6 hours 31 min 36 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,743.45 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.20 MB |
| Peak swap size | 11.35 GB |
| Peak disk usage | 3.04 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
nelze spustit.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
19:35:51 (6788): wrapper (7.9.26016): starting
19:35:51 (6788): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A33_0.pdb
QB_A05_A33_0.xml
QB_A05_A33.inpcrd
QB_A05_A33_input.yaml
QB_A05_A33.pdb
QB_A05_A33.prmtop
QB_A05_A33_sys.xml
run.bat
run.sh
19:35:52 (6788): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:35:52 (6788): 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\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 'C:\ProgramData\BOINC\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835379} normal block at 0x000001CD738EDD50, 8 bytes long.
Data: < s > 00 00 CC 73 CD 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x000001CD756941C0, 1080 bytes long.
Data: < V > 00 56 00 00 CD CD CD CD E8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001CD738E1350, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
06:43:28 (9168): wrapper (7.9.26016): starting
06:43:28 (9168): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
ptxas fatal : Memory allocation failure
ptxas fatal : Memory allocation failure
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x0000023487105A60, 8 bytes long.
Data: < u 4 > 00 00 75 87 34 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000234871066C0, 1080 bytes long.
Data: < ? \ > 10 3F 00 00 CD CD CD CD 5C 00 00 00 00 00 00 00
Object dump complete.
07:14:24 (18336): wrapper (7.9.26016): starting
07:14:24 (18336): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x0000025FC1BA5E30, 8 bytes long.
Data: < _ > 00 00 B5 C1 5F 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000025FC1BA6810, 1080 bytes long.
Data: < > D4 17 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
07:25:14 (21484): wrapper (7.9.26016): starting
07:25:14 (21484): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x0000022375CB5C00, 8 bytes long.
Data: < u# > 00 00 C7 75 23 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000022375CB6810, 1080 bytes long.
Data: <hN > 68 4E 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:17:34 (17924): wrapper (7.9.26016): starting
09:17:34 (17924): 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\1\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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 443, in __init__
self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 229, in _openmm_worker_makecontext
self.platform = Platform.getPlatformByName(self.platform_name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
09:23:51 (17924): C:/Windows/system32/cmd.exe exited; CPU time 24.281250
09:23:51 (17924): app exit status: 0x16
09:23:51 (17924): called boinc_finish(195)
0 bytes in 0 Free Blocks.
616 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: 3058468 bytes.
Dumping objects ->
{1814} normal block at 0x0000024E4ACE01E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1803} normal block at 0x0000024E4ACE0790, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1792} normal block at 0x0000024E4ACE0800, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1781} normal block at 0x0000024E4ACE04F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1770} normal block at 0x0000024E4ACE0480, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1739} normal block at 0x0000024E4ACD16E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1728} normal block at 0x0000024E4ACCB5C0, 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) : {1725} normal block at 0x0000024E4ACE5A60, 8 bytes long.
Data: < KN > 00 00 1A 4B 4E 02 00 00
{1007} normal block at 0x0000024E4ACCD340, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{305} normal block at 0x0000024E4ACE5970, 8 bytes long.
Data: < f JN > C0 66 CE 4A 4E 02 00 00
{296} normal block at 0x0000024E4ACD06A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000024E4ACE6050, 16 bytes long.
Data: < e JN > C8 65 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024E4ACE57E0, 16 bytes long.
Data: < e JN > A0 65 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024E4ACE0C30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000024E4ACE5880, 16 bytes long.
Data: <xe JN > 78 65 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024E4ACE5FB0, 16 bytes long.
Data: <Pe JN > 50 65 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024E4ACE6190, 16 bytes long.
Data: <(e JN > 28 65 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024E4ACE5BF0, 16 bytes long.
Data: < e JN > 00 65 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024E4ACE0100, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000024E4ACE5F60, 16 bytes long.
Data: <x JN > 78 16 CD 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024E4ACE09F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000024E4ACE5920, 16 bytes long.
Data: <P JN > 50 16 CD 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024E4ACE5650, 16 bytes long.
Data: <( JN > 28 16 CD 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024E4ACE5740, 16 bytes long.
Data: < JN > 00 16 CD 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024E4ACE5560, 16 bytes long.
Data: < JN > D8 15 CD 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024E4ACE60F0, 16 bytes long.
Data: < JN > B0 15 CD 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024E4ACE5CE0, 16 bytes long.
Data: < JN > 88 15 CD 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024E4ACE0B70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000024E4ACE5F10, 16 bytes long.
Data: <` JN > 60 15 CD 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024E4ACD1560, 320 bytes long.
Data: < _ JN p JN > 10 5F CE 4A 4E 02 00 00 70 0B CE 4A 4E 02 00 00
{275} normal block at 0x0000024E4ACE5B50, 16 bytes long.
Data: < d JN > E0 64 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024E4ACE5DD0, 16 bytes long.
Data: < d JN > B8 64 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024E4ACE0FF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000024E4ACE5BA0, 16 bytes long.
Data: < d JN > 90 64 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024E4ACE0B10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000024E4ACE5A10, 16 bytes long.
Data: < c JN > D8 63 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024E4ACE59C0, 16 bytes long.
Data: < c JN > B0 63 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024E4ACE6140, 16 bytes long.
Data: < c JN > 88 63 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024E4ACE5790, 16 bytes long.
Data: <`c JN > 60 63 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024E4ACE5D30, 16 bytes long.
Data: <8c JN > 38 63 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024E4ACE55B0, 16 bytes long.
Data: < c JN > 10 63 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024E4ACE5EC0, 16 bytes long.
Data: < JN > 10 04 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024E4ACE0410, 40 bytes long.
Data: < ^ JN JN > C0 5E CE 4A 4E 02 00 00 E0 16 CD 4A 4E 02 00 00
{261} normal block at 0x0000024E4ACE52E0, 16 bytes long.
Data: < b JN > F0 62 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024E4ACE5E70, 16 bytes long.
Data: < b JN > C8 62 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024E4ACE0990, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000024E4ACE61E0, 16 bytes long.
Data: < b JN > A0 62 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024E4ACE62A0, 992 bytes long.
Data: < a JN JN > E0 61 CE 4A 4E 02 00 00 90 09 CE 4A 4E 02 00 00
{93} normal block at 0x0000024E4ACE15F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000024E4ACDD5C0, 16 bytes long.
Data: < JN > A0 03 CE 4A 4E 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000024E4ACE03A0, 40 bytes long.
Data: < JN JN > C0 D5 CD 4A 4E 02 00 00 F0 15 CE 4A 4E 02 00 00
{70} normal block at 0x0000024E4ACDDD90, 16 bytes long.
Data: < F > 80 EA 46 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024E4ACDD390, 16 bytes long.
Data: <@ F > 40 E9 46 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024E4ACDD7F0, 16 bytes long.
Data: < WC > F8 57 43 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024E4ACDD7A0, 16 bytes long.
Data: < WC > D8 57 43 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024E4ACDD570, 16 bytes long.
Data: <P C > 50 04 43 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024E4ACDD2F0, 16 bytes long.
Data: <0 C > 30 04 43 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024E4ACDD750, 16 bytes long.
Data: < C > E0 02 43 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024E4ACDD890, 16 bytes long.
Data: < C > 10 04 43 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024E4ACDD2A0, 16 bytes long.
Data: <p C > 70 04 43 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024E4ACDDE80, 16 bytes long.
Data: < A > 18 C0 41 99 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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