Task 38608697

Name MCL1_A08_A40_r0_3-QUICO_ATM_GAFF2_NAGL_MCL1-2-6-RND1736_1
Workunit 31556308
Created 14 Apr 2026, 17:49:24 UTC
Sent 14 Apr 2026, 17:49:33 UTC
Report deadline 19 Apr 2026, 17:49:33 UTC
Received 14 Apr 2026, 17:57:17 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 643084
Run time 1 min 22 sec
CPU time 11 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 219.93 MB
Peak swap size 5.85 GB
Peak disk usage 1.46 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>
19:53:51 (21728): wrapper (7.9.26016): starting
19:53:51 (21728): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A40_0.pdb
QB_A08_A40_0.xml
QB_A08_A40.inpcrd
QB_A08_A40_input.yaml
QB_A08_A40.pdb
QB_A08_A40.prmtop
QB_A08_A40_sys.xml
run.bat
run.sh
19:53:52 (21728): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:53:52 (21728): 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\Donn&#233;es\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 'E:\Programmes\BOINC\Donn&#233;es\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 "E:\Programmes\BOINC\Donn&#233;es\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "E:\Programmes\BOINC\Donn&#233;es\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "E:\Programmes\BOINC\Donn&#233;es\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 "E:\Programmes\BOINC\Donn&#233;es\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "E:\Programmes\BOINC\Donn&#233;es\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "E:\Programmes\BOINC\Donn&#233;es\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 229, in _openmm_worker_makecontext
    self.platform = Platform.getPlatformByName(self.platform_name)
                    ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\Programmes\BOINC\Donn&#233;es\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"
19:54:19 (21728): C:/Windows/system32/cmd.exe exited; CPU time 11.578125
19:54:19 (21728): app exit status: 0x16
19:54:19 (21728): 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: 652331 bytes.
Dumping objects ->
{3835281} normal block at 0x00000229CFB9F1F0, 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 0x00000229CFC750E0, 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 0x00000229CFC75380, 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 0x00000229CFC758C0, 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 0x00000229CFC75070, 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 0x00000229CFB9F170, 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 0x00000229CFB3AEF0, 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 0x00000229CDFFD790, 8 bytes long.
 Data: <  5&#206;)   > 00 00 35 CE 29 02 00 00 
{3834565} normal block at 0x00000229CFB3A760, 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 0x00000229CDFFDF60, 8 bytes long.
 Data: <&#224;&#214;&#254;&#205;)   > E0 D6 FE CD 29 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000229CDFF0850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000229CDFF20D0, 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 0x00000229CE006940, 16 bytes long.
 Data: <&#216;{ &#206;)           > D8 7B 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000229CE006E40, 16 bytes long.
 Data: <&#176;{ &#206;)           > B0 7B 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000229CE000B70, 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 0x00000229CE007020, 16 bytes long.
 Data: < { &#206;)           > 88 7B 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000229CE0076B0, 16 bytes long.
 Data: <`{ &#206;)           > 60 7B 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000229CE007570, 16 bytes long.
 Data: <8{ &#206;)           > 38 7B 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000229CE007250, 16 bytes long.
 Data: < { &#206;)           > 10 7B 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000229CE005110, 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 0x00000229CE0070C0, 16 bytes long.
 Data: <  &#255;&#205;)           > 18 07 FF CD 29 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000229CE001890, 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 0x00000229CE007070, 16 bytes long.
 Data: <&#240; &#255;&#205;)           > F0 06 FF CD 29 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000229CE007110, 16 bytes long.
 Data: <&#200; &#255;&#205;)           > C8 06 FF CD 29 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000229CE006DA0, 16 bytes long.
 Data: <&#160; &#255;&#205;)           > A0 06 FF CD 29 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000229CE006B70, 16 bytes long.
 Data: <x &#255;&#205;)           > 78 06 FF CD 29 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000229CE0073E0, 16 bytes long.
 Data: <P &#255;&#205;)           > 50 06 FF CD 29 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000229CE0068F0, 16 bytes long.
 Data: <( &#255;&#205;)           > 28 06 FF CD 29 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000229CE000ED0, 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 0x00000229CE006C10, 16 bytes long.
 Data: <  &#255;&#205;)           > 00 06 FF CD 29 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000229CDFF0600, 320 bytes long.
 Data: < l &#206;)   &#208;  &#206;)   > 10 6C 00 CE 29 02 00 00 D0 0E 00 CE 29 02 00 00 
{274} normal block at 0x00000229CE0072F0, 16 bytes long.
 Data: <&#240;z &#206;)           > F0 7A 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000229CE007520, 16 bytes long.
 Data: <&#200;z &#206;)           > C8 7A 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000229CE001170, 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 0x00000229CE0074D0, 16 bytes long.
 Data: <&#160;z &#206;)           > A0 7A 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000229CE001470, 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 0x00000229CE007160, 16 bytes long.
 Data: <&#232;y &#206;)           > E8 79 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000229CE007750, 16 bytes long.
 Data: <&#192;y &#206;)           > C0 79 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000229CE007840, 16 bytes long.
 Data: < y &#206;)           > 98 79 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000229CE006AD0, 16 bytes long.
 Data: <py &#206;)           > 70 79 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000229CE006D00, 16 bytes long.
 Data: <Hy &#206;)           > 48 79 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000229CE006FD0, 16 bytes long.
 Data: < y &#206;)           > 20 79 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000229CE006D50, 16 bytes long.
 Data: <&#192;V &#206;)           > C0 56 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000229CE0056C0, 40 bytes long.
 Data: <Pm &#206;)   p&#241;&#185;&#207;)   > 50 6D 00 CE 29 02 00 00 70 F1 B9 CF 29 02 00 00 
{260} normal block at 0x00000229CE007200, 16 bytes long.
 Data: < y &#206;)           > 00 79 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000229CE0071B0, 16 bytes long.
 Data: <&#216;x &#206;)           > D8 78 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000229CE000E10, 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 0x00000229CE006CB0, 16 bytes long.
 Data: <&#176;x &#206;)           > B0 78 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000229CE0078B0, 992 bytes long.
 Data: <&#176;l &#206;)      &#206;)   > B0 6C 00 CE 29 02 00 00 10 0E 00 CE 29 02 00 00 
{92} normal block at 0x00000229CE001350, 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 0x00000229CDFFD970, 16 bytes long.
 Data: < Q &#206;)           > 80 51 00 CE 29 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000229CE005180, 40 bytes long.
 Data: <p&#217;&#255;&#205;)   P  &#206;)   > 70 D9 FF CD 29 02 00 00 50 13 00 CE 29 02 00 00 
{69} normal block at 0x00000229CDFFD740, 16 bytes long.
 Data: < &#234;&#205;L&#247;           > 80 EA CD 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000229CDFFD6A0, 16 bytes long.
 Data: <@&#233;&#205;L&#247;           > 40 E9 CD 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000229CDFFDB00, 16 bytes long.
 Data: <&#248;W&#202;L&#247;           > F8 57 CA 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000229CDFFD830, 16 bytes long.
 Data: <&#216;W&#202;L&#247;           > D8 57 CA 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000229CDFFD7E0, 16 bytes long.
 Data: <P &#202;L&#247;           > 50 04 CA 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000229CDFFDDD0, 16 bytes long.
 Data: <0 &#202;L&#247;           > 30 04 CA 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000229CDFFDA10, 16 bytes long.
 Data: <&#224; &#202;L&#247;           > E0 02 CA 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000229CDFFD5B0, 16 bytes long.
 Data: <  &#202;L&#247;           > 10 04 CA 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000229CDFFDAB0, 16 bytes long.
 Data: <p &#202;L&#247;           > 70 04 CA 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000229CDFFD380, 16 bytes long.
 Data: < &#192;&#200;L&#247;           > 18 C0 C8 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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