Task 38610598

Name MCL1_A37_A11_r0_5-QUICO_ATM_OpenFF_MCL1-2-6-RND6995_0
Workunit 31563472
Created 15 Apr 2026, 11:28:07 UTC
Sent 15 Apr 2026, 11:28:11 UTC
Report deadline 20 Apr 2026, 11:28:11 UTC
Received 15 Apr 2026, 11:36:09 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 643084
Run time 4 min 5 sec
CPU time 1 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 247.85 MB
Peak swap size 5.88 GB
Peak disk usage 4.13 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>
13:31:40 (19668): wrapper (7.9.26016): starting
13:31:40 (19668): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A37_A11_0.pdb
QB_A37_A11_0.xml
QB_A37_A11.inpcrd
QB_A37_A11_input.yaml
QB_A37_A11.pdb
QB_A37_A11.prmtop
QB_A37_A11_sys.xml
run.bat
run.sh
13:31:45 (19668): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:31:45 (19668): 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"
13:34:25 (19668): C:/Windows/system32/cmd.exe exited; CPU time 95.265625
13:34:25 (19668): app exit status: 0x16
13:34:25 (19668): 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: 2054693 bytes.
Dumping objects ->
{3835281} normal block at 0x0000025A6EC0E0C0, 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 0x0000025A6EC6B890, 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 0x0000025A6EC6ADA0, 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 0x0000025A6EC6ACC0, 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 0x0000025A6EC6B2E0, 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 0x0000025A6EC0E1C0, 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 0x0000025A6EC69800, 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 0x0000025A6CF2D520, 8 bytes long.
 Data: <  3mZ   > 00 00 33 6D 5A 02 00 00 
{3834565} normal block at 0x0000025A6EC68A40, 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 0x0000025A6CF2D4D0, 8 bytes long.
 Data: <&#224;&#214;&#241;lZ   > E0 D6 F1 6C 5A 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000025A6CF209A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025A6CF22290, 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 0x0000025A6CF35F50, 16 bytes long.
 Data: <(i&#243;lZ           > 28 69 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025A6CF36540, 16 bytes long.
 Data: < i&#243;lZ           > 00 69 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025A6CF30E20, 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 0x0000025A6CF35730, 16 bytes long.
 Data: <&#216;h&#243;lZ           > D8 68 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025A6CF35E10, 16 bytes long.
 Data: <&#176;h&#243;lZ           > B0 68 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025A6CF35AF0, 16 bytes long.
 Data: < h&#243;lZ           > 88 68 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025A6CF35DC0, 16 bytes long.
 Data: <`h&#243;lZ           > 60 68 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025A6CF302F0, 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 0x0000025A6CF35690, 16 bytes long.
 Data: <( &#242;lZ           > 28 07 F2 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025A6CF31480, 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 0x0000025A6CF35BE0, 16 bytes long.
 Data: <  &#242;lZ           > 00 07 F2 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025A6CF35960, 16 bytes long.
 Data: <&#216; &#242;lZ           > D8 06 F2 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025A6CF364F0, 16 bytes long.
 Data: <&#176; &#242;lZ           > B0 06 F2 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025A6CF35C80, 16 bytes long.
 Data: <  &#242;lZ           > 88 06 F2 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025A6CF36400, 16 bytes long.
 Data: <` &#242;lZ           > 60 06 F2 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025A6CF35B90, 16 bytes long.
 Data: <8 &#242;lZ           > 38 06 F2 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025A6CF31720, 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 0x0000025A6CF36090, 16 bytes long.
 Data: <  &#242;lZ           > 10 06 F2 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025A6CF20610, 320 bytes long.
 Data: < `&#243;lZ     &#243;lZ   > 90 60 F3 6C 5A 02 00 00 20 17 F3 6C 5A 02 00 00 
{274} normal block at 0x0000025A6CF36360, 16 bytes long.
 Data: <@h&#243;lZ           > 40 68 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025A6CF36040, 16 bytes long.
 Data: < h&#243;lZ           > 18 68 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025A6CF31900, 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 0x0000025A6CF36310, 16 bytes long.
 Data: <&#240;g&#243;lZ           > F0 67 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025A6CF30B80, 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 0x0000025A6CF364A0, 16 bytes long.
 Data: <8g&#243;lZ           > 38 67 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025A6CF36180, 16 bytes long.
 Data: < g&#243;lZ           > 10 67 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025A6CF35640, 16 bytes long.
 Data: <&#232;f&#243;lZ           > E8 66 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025A6CF35CD0, 16 bytes long.
 Data: <&#192;f&#243;lZ           > C0 66 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025A6CF35D70, 16 bytes long.
 Data: < f&#243;lZ           > 98 66 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025A6CF35B40, 16 bytes long.
 Data: <pf&#243;lZ           > 70 66 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025A6CF35FF0, 16 bytes long.
 Data: <  &#243;lZ           > 80 02 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025A6CF30280, 40 bytes long.
 Data: <&#240;_&#243;lZ   &#192;&#225;&#192;nZ   > F0 5F F3 6C 5A 02 00 00 C0 E1 C0 6E 5A 02 00 00 
{260} normal block at 0x0000025A6CF35910, 16 bytes long.
 Data: <Pf&#243;lZ           > 50 66 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025A6CF35870, 16 bytes long.
 Data: <(f&#243;lZ           > 28 66 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025A6CF30DC0, 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 0x0000025A6CF35820, 16 bytes long.
 Data: < f&#243;lZ           > 00 66 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025A6CF36600, 992 bytes long.
 Data: < X&#243;lZ   &#192; &#243;lZ   > 20 58 F3 6C 5A 02 00 00 C0 0D F3 6C 5A 02 00 00 
{92} normal block at 0x0000025A6CF31600, 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 0x0000025A6CF2D250, 16 bytes long.
 Data: <&#160; &#243;lZ           > A0 08 F3 6C 5A 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000025A6CF308A0, 40 bytes long.
 Data: <P&#210;&#242;lZ     &#243;lZ   > 50 D2 F2 6C 5A 02 00 00 00 16 F3 6C 5A 02 00 00 
{69} normal block at 0x0000025A6CF2D750, 16 bytes long.
 Data: < &#234;#&#155;&#246;           > 80 EA 23 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025A6CF2D160, 16 bytes long.
 Data: <@&#233;#&#155;&#246;           > 40 E9 23 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025A6CF2DDE0, 16 bytes long.
 Data: <&#248;W &#155;&#246;           > F8 57 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025A6CF2D700, 16 bytes long.
 Data: <&#216;W &#155;&#246;           > D8 57 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025A6CF2D020, 16 bytes long.
 Data: <P  &#155;&#246;           > 50 04 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025A6CF2DD90, 16 bytes long.
 Data: <0  &#155;&#246;           > 30 04 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025A6CF2DC00, 16 bytes long.
 Data: <&#224;  &#155;&#246;           > E0 02 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025A6CF2D110, 16 bytes long.
 Data: <   &#155;&#246;           > 10 04 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025A6CF2DD40, 16 bytes long.
 Data: <p  &#155;&#246;           > 70 04 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025A6CF2DF20, 16 bytes long.
 Data: < &#192; &#155;&#246;           > 18 C0 1E 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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