Task 38613020
| Name | p38_A22_A16_r0_5-QUICO_ATM_OpenFF_p38-3-6-RND6068_1 |
| Workunit | 31565534 |
| Created | 16 Apr 2026, 14:48:54 UTC |
| Sent | 16 Apr 2026, 14:48:56 UTC |
| Report deadline | 21 Apr 2026, 14:48:56 UTC |
| Received | 16 Apr 2026, 14:56:43 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643084 |
| Run time | 5 min 35 sec |
| CPU time | 2 min 35 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 | 618.45 MB |
| Peak swap size | 6.27 GB |
| Peak disk usage | 3.03 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>
16:50:21 (7504): wrapper (7.9.26016): starting
16:50:21 (7504): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A22_A16_0.pdb
QB_A22_A16_0.xml
QB_A22_A16.inpcrd
QB_A22_A16_input.yaml
QB_A22_A16.pdb
QB_A22_A16.prmtop
QB_A22_A16_sys.xml
run.bat
run.sh
16:50:29 (7504): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:50:29 (7504): 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\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 'E:\Programmes\BOINC\Données\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 "E:\Programmes\BOINC\Données\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\Programmes\BOINC\Données\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "E:\Programmes\BOINC\Données\slots\0\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\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "E:\Programmes\BOINC\Données\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "E:\Programmes\BOINC\Données\slots\0\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\0\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
16:54:48 (7504): C:/Windows/system32/cmd.exe exited; CPU time 155.046875
16:54:48 (7504): app exit status: 0x16
16:54:48 (7504): 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: 3362805 bytes.
Dumping objects ->
{3835281} normal block at 0x00000209EDD7E570, 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 0x00000209EDD7F440, 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 0x00000209EDD7EC60, 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 0x00000209EDD7ECD0, 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 0x00000209EDD7E950, 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 0x00000209EDD7DD70, 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 0x00000209EFB19A20, 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 0x00000209EDD4EDC0, 8 bytes long.
Data: < %î > 00 00 25 EE 09 02 00 00
{3834565} normal block at 0x00000209EFB1A5D0, 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 0x00000209EDD4F400, 8 bytes long.
Data: <àSµï > E0 53 B5 EF 09 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000209EDD42210, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000209EDD43490, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
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Data: < }Õí > 18 7D D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000209EDD57020, 16 bytes long.
Data: <ð|Õí > F0 7C D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000209EDD52400, 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 0x00000209EDD573E0, 16 bytes long.
Data: <È|Õí > C8 7C D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000209EDD578E0, 16 bytes long.
Data: < |Õí > A0 7C D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000209EDD57520, 16 bytes long.
Data: <x|Õí > 78 7C D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000209EDD574D0, 16 bytes long.
Data: <P|Õí > 50 7C D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000209EDD552C0, 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 0x00000209EDD56B70, 16 bytes long.
Data: <h Ôí > 68 0C D4 ED 09 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000209EDD52EE0, 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 0x00000209EDD56DF0, 16 bytes long.
Data: <@ Ôí > 40 0C D4 ED 09 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000209EDD56DA0, 16 bytes long.
Data: < Ôí > 18 0C D4 ED 09 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000209EDD56CB0, 16 bytes long.
Data: <ð Ôí > F0 0B D4 ED 09 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000209EDD56F80, 16 bytes long.
Data: <È Ôí > C8 0B D4 ED 09 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000209EDD57390, 16 bytes long.
Data: <  Ôí > A0 0B D4 ED 09 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000209EDD57250, 16 bytes long.
Data: <x Ôí > 78 0B D4 ED 09 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000209EDD52E20, 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 0x00000209EDD56FD0, 16 bytes long.
Data: <P Ôí > 50 0B D4 ED 09 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000209EDD40B50, 320 bytes long.
Data: <ÐoÕí .Õí > D0 6F D5 ED 09 02 00 00 20 2E D5 ED 09 02 00 00
{274} normal block at 0x00000209EDD57110, 16 bytes long.
Data: <0|Õí > 30 7C D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000209EDD56EE0, 16 bytes long.
Data: < |Õí > 08 7C D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000209EDD528E0, 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 0x00000209EDD56C60, 16 bytes long.
Data: <à{Õí > E0 7B D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000209EDD52B20, 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 0x00000209EDD56D50, 16 bytes long.
Data: <({Õí > 28 7B D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000209EDD56C10, 16 bytes long.
Data: < {Õí > 00 7B D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000209EDD576B0, 16 bytes long.
Data: <ØzÕí > D8 7A D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000209EDD570C0, 16 bytes long.
Data: <°zÕí > B0 7A D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000209EDD57340, 16 bytes long.
Data: < zÕí > 88 7A D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000209EDD57700, 16 bytes long.
Data: <`zÕí > 60 7A D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000209EDD57200, 16 bytes long.
Data: <ÐUÕí > D0 55 D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000209EDD555D0, 40 bytes long.
Data: < rÕí pÝ×í > 00 72 D5 ED 09 02 00 00 70 DD D7 ED 09 02 00 00
{260} normal block at 0x00000209EDD56E40, 16 bytes long.
Data: <@zÕí > 40 7A D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000209EDD57890, 16 bytes long.
Data: < zÕí > 18 7A D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000209EDD52A00, 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 0x00000209EDD57480, 16 bytes long.
Data: <ðyÕí > F0 79 D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000209EDD579F0, 992 bytes long.
Data: < tÕí *Õí > 80 74 D5 ED 09 02 00 00 00 2A D5 ED 09 02 00 00
{92} normal block at 0x00000209EDD522E0, 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 0x00000209EDD4E960, 16 bytes long.
Data: < WÕí > 20 57 D5 ED 09 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000209EDD55720, 40 bytes long.
Data: <`éÔí à"Õí > 60 E9 D4 ED 09 02 00 00 E0 22 D5 ED 09 02 00 00
{69} normal block at 0x00000209EDD4F4A0, 16 bytes long.
Data: < ê@Æö > 80 EA 40 C6 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000209EDD4EFA0, 16 bytes long.
Data: <@é@Æö > 40 E9 40 C6 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000209EDD4ED70, 16 bytes long.
Data: <øW=Æö > F8 57 3D C6 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000209EDD4F3B0, 16 bytes long.
Data: <ØW=Æö > D8 57 3D C6 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000209EDD4F360, 16 bytes long.
Data: <P =Æö > 50 04 3D C6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000209EDD4F540, 16 bytes long.
Data: <0 =Æö > 30 04 3D C6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000209EDD4F0E0, 16 bytes long.
Data: <à =Æö > E0 02 3D C6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000209EDD4EA50, 16 bytes long.
Data: < =Æö > 10 04 3D C6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000209EDD4F090, 16 bytes long.
Data: <p =Æö > 70 04 3D C6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000209EDD4E7D0, 16 bytes long.
Data: < À;Æö > 18 C0 3B C6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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