Task 38615750
| Name | p38_2_A11_A33_r0_2-QUICO_ATM_OpenFF_NAGL_p38_2-0-6-RND2500_1 |
| Workunit | 31567552 |
| Created | 17 Apr 2026, 17:08:47 UTC |
| Sent | 17 Apr 2026, 17:35:38 UTC |
| Report deadline | 22 Apr 2026, 17:35:38 UTC |
| Received | 17 Apr 2026, 17:40:46 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643084 |
| Run time | 3 min 15 sec |
| CPU time | 1 min 23 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 12,744.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 534.01 MB |
| Peak swap size | 6.17 GB |
| Peak disk usage | 2.78 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
19:37:08 (35016): wrapper (7.9.26016): starting
19:37:08 (35016): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A11_A33_0.pdb
QB_A11_A33_0.xml
QB_A11_A33.inpcrd
QB_A11_A33_input.yaml
QB_A11_A33.pdb
QB_A11_A33.prmtop
QB_A11_A33_sys.xml
run.bat
run.sh
19:37:18 (35016): Library/usr/bin/tar.exe exited; CPU time 0.046875
19:37:18 (35016): 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 'E:\Programmes\BOINC\Données\slots\14\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 'E:\Programmes\BOINC\Données\slots\14\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 "E:\Programmes\BOINC\Données\slots\14\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\Programmes\BOINC\Données\slots\14\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "E:\Programmes\BOINC\Données\slots\14\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 "E:\Programmes\BOINC\Données\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "E:\Programmes\BOINC\Données\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "E:\Programmes\BOINC\Données\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 229, in _openmm_worker_makecontext
self.platform = Platform.getPlatformByName(self.platform_name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\Programmes\BOINC\Données\slots\14\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
19:39:00 (35016): C:/Windows/system32/cmd.exe exited; CPU time 83.562500
19:39:00 (35016): app exit status: 0x16
19:39:00 (35016): called boinc_finish(195)
0 bytes in 0 Free Blocks.
476 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: 1621475 bytes.
Dumping objects ->
{3835281} normal block at 0x00000297735BDCE0, 64 bytes long.
Data: <PATH=E:\Programm> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835270} normal block at 0x000002977184A990, 48 bytes long.
Data: <HOME=E:\Programm> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835259} normal block at 0x000002977184ACA0, 48 bytes long.
Data: <TMP=E:\Programme> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D 65
{3835248} normal block at 0x000002977184AA70, 48 bytes long.
Data: <TEMP=E:\Programm> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835237} normal block at 0x000002977184A840, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835206} normal block at 0x00000297735BD860, 64 bytes long.
Data: <PATH=E:\Programm> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835195} normal block at 0x000002977365C980, 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) : {3835192} normal block at 0x000002977181D240, 8 bytes long.
Data: < Öq— > 00 00 D6 71 97 02 00 00
{3834565} normal block at 0x000002977365C350, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000002977181DAB0, 8 bytes long.
Data: <àÖ q— > E0 D6 80 71 97 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000029771810E90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029771811FB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000029771827160, 16 bytes long.
Data: <Ø{‚q— > D8 7B 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029771827610, 16 bytes long.
Data: <°{‚q— > B0 7B 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029771820C30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000029771826B20, 16 bytes long.
Data: < {‚q— > 88 7B 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000297718271B0, 16 bytes long.
Data: <`{‚q— > 60 7B 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029771827020, 16 bytes long.
Data: <8{‚q— > 38 7B 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029771827570, 16 bytes long.
Data: < {‚q— > 10 7B 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029771825570, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000297718277A0, 16 bytes long.
Data: <8ò q— > 38 F2 80 71 97 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000297718212F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000029771826FD0, 16 bytes long.
Data: < ò q— > 10 F2 80 71 97 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029771826990, 16 bytes long.
Data: <èñ q— > E8 F1 80 71 97 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000297718273E0, 16 bytes long.
Data: <Àñ q— > C0 F1 80 71 97 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029771826F80, 16 bytes long.
Data: < ñ q— > 98 F1 80 71 97 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000297718275C0, 16 bytes long.
Data: <pñ q— > 70 F1 80 71 97 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029771826A80, 16 bytes long.
Data: <Hñ q— > 48 F1 80 71 97 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029771820C90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000029771827520, 16 bytes long.
Data: < ñ q— > 20 F1 80 71 97 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002977180F120, 320 bytes long.
Data: < u‚q— ‚q— > 20 75 82 71 97 02 00 00 90 0C 82 71 97 02 00 00
{274} normal block at 0x0000029771826940, 16 bytes long.
Data: <ðz‚q— > F0 7A 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029771827700, 16 bytes long.
Data: <Èz‚q— > C8 7A 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029771821290, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000029771826E40, 16 bytes long.
Data: < z‚q— > A0 7A 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000297718215F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000297718274D0, 16 bytes long.
Data: <èy‚q— > E8 79 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029771826AD0, 16 bytes long.
Data: <Ày‚q— > C0 79 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000297718276B0, 16 bytes long.
Data: < y‚q— > 98 79 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000297718269E0, 16 bytes long.
Data: <py‚q— > 70 79 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029771827250, 16 bytes long.
Data: <Hy‚q— > 48 79 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029771827110, 16 bytes long.
Data: < y‚q— > 20 79 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000297718268F0, 16 bytes long.
Data: <@S‚q— > 40 53 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029771825340, 40 bytes long.
Data: <ðh‚q— `Ø[s— > F0 68 82 71 97 02 00 00 60 D8 5B 73 97 02 00 00
{260} normal block at 0x0000029771826A30, 16 bytes long.
Data: < y‚q— > 00 79 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000029771827840, 16 bytes long.
Data: <Øx‚q— > D8 78 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000029771820BD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000029771826D50, 16 bytes long.
Data: <°x‚q— > B0 78 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000297718278B0, 992 bytes long.
Data: <Pm‚q— Ð ‚q— > 50 6D 82 71 97 02 00 00 D0 0B 82 71 97 02 00 00
{92} normal block at 0x0000029771820E70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002977181D1F0, 16 bytes long.
Data: <ÐR‚q— > D0 52 82 71 97 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000297718252D0, 40 bytes long.
Data: <ðÑ q— p ‚q— > F0 D1 81 71 97 02 00 00 70 0E 82 71 97 02 00 00
{69} normal block at 0x000002977181DF10, 16 bytes long.
Data: < êúÙ÷ > 80 EA FA D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002977181D880, 16 bytes long.
Data: <@éúÙ÷ > 40 E9 FA D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002977181DCE0, 16 bytes long.
Data: <øW÷Ù÷ > F8 57 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002977181D7E0, 16 bytes long.
Data: <ØW÷Ù÷ > D8 57 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002977181D1A0, 16 bytes long.
Data: <P ÷Ù÷ > 50 04 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002977181D830, 16 bytes long.
Data: <0 ÷Ù÷ > 30 04 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002977181D0B0, 16 bytes long.
Data: <à ÷Ù÷ > E0 02 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002977181D290, 16 bytes long.
Data: < ÷Ù÷ > 10 04 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002977181DC90, 16 bytes long.
Data: <p ÷Ù÷ > 70 04 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002977181D600, 16 bytes long.
Data: < ÀõÙ÷ > 18 C0 F5 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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