Task 38602031

Name MCL1_A03_A40_r0_5-QUICO_ATM_GAFF2_NAGL_MCL1-4-6-RND7911_0
Workunit 31556505
Created 9 Apr 2026, 20:34:28 UTC
Sent 9 Apr 2026, 20:34:36 UTC
Report deadline 14 Apr 2026, 20:34:36 UTC
Received 9 Apr 2026, 20:38:09 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 17 sec
CPU time 10 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 196.14 MB
Peak swap size 5.83 GB
Peak disk usage 1.55 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>
22:35:39 (17940): wrapper (7.9.26016): starting
22:35:39 (17940): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A40_0.pdb
QB_A03_A40_0.xml
QB_A03_A40.inpcrd
QB_A03_A40_input.yaml
QB_A03_A40.pdb
QB_A03_A40.prmtop
QB_A03_A40_sys.xml
run.bat
run.sh
22:35:40 (17940): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:35:40 (17940): 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\2\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\2\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\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "E:\Programmes\BOINC\Donn&#233;es\slots\2\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\2\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\2\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "E:\Programmes\BOINC\Donn&#233;es\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "E:\Programmes\BOINC\Donn&#233;es\slots\2\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\2\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
    return _openmm.Platform_getPlatformByName(name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
22:36:05 (17940): C:/Windows/system32/cmd.exe exited; CPU time 10.968750
22:36:05 (17940): app exit status: 0x16
22:36:05 (17940): 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: 446829 bytes.
Dumping objects ->
{3835281} normal block at 0x0000017CC819CE50, 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 0x0000017CC65AB770, 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 0x0000017CC65ABA10, 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 0x0000017CC65AB5B0, 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 0x0000017CC65AB540, 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 0x0000017CC819D3D0, 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 0x0000017CC81FED20, 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 0x0000017CC657E000, 8 bytes long.
 Data: <   &#198;|   > 00 00 8D C6 7C 01 00 00 
{3834565} normal block at 0x0000017CC81FE640, 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 0x0000017CC657D600, 8 bytes long.
 Data: <&#208;&#215;V&#198;|   > D0 D7 56 C6 7C 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000017CC6570F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017CC6572520, 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 0x0000017CC6585DE0, 16 bytes long.
 Data: <hgX&#198;|           > 68 67 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017CC65858E0, 16 bytes long.
 Data: <@gX&#198;|           > 40 67 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017CC6581490, 32 bytes long.
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{291} normal block at 0x0000017CC6585890, 16 bytes long.
 Data: < gX&#198;|           > 18 67 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017CC65856B0, 16 bytes long.
 Data: <&#240;fX&#198;|           > F0 66 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017CC6585D90, 16 bytes long.
 Data: <&#200;fX&#198;|           > C8 66 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017CC6585A70, 16 bytes long.
 Data: <&#160;fX&#198;|           > A0 66 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017CC6580730, 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 0x0000017CC6585F70, 16 bytes long.
 Data: <(&#243;V&#198;|           > 28 F3 56 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017CC6581910, 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 0x0000017CC6585660, 16 bytes long.
 Data: < &#243;V&#198;|           > 00 F3 56 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017CC6585A20, 16 bytes long.
 Data: <&#216;&#242;V&#198;|           > D8 F2 56 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017CC6585520, 16 bytes long.
 Data: <&#176;&#242;V&#198;|           > B0 F2 56 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017CC6585B10, 16 bytes long.
 Data: < &#242;V&#198;|           > 88 F2 56 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017CC6585CF0, 16 bytes long.
 Data: <`&#242;V&#198;|           > 60 F2 56 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017CC65863D0, 16 bytes long.
 Data: <8&#242;V&#198;|           > 38 F2 56 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017CC65818B0, 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 0x0000017CC65854D0, 16 bytes long.
 Data: < &#242;V&#198;|           > 10 F2 56 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017CC656F210, 320 bytes long.
 Data: <&#208;TX&#198;|   &#176; X&#198;|   > D0 54 58 C6 7C 01 00 00 B0 18 58 C6 7C 01 00 00 
{274} normal block at 0x0000017CC6585570, 16 bytes long.
 Data: < fX&#198;|           > 80 66 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017CC6585610, 16 bytes long.
 Data: <XfX&#198;|           > 58 66 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017CC65817F0, 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 0x0000017CC65861A0, 16 bytes long.
 Data: <0fX&#198;|           > 30 66 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017CC6581130, 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 0x0000017CC6586150, 16 bytes long.
 Data: <xeX&#198;|           > 78 65 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017CC6585750, 16 bytes long.
 Data: <PeX&#198;|           > 50 65 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017CC65859D0, 16 bytes long.
 Data: <(eX&#198;|           > 28 65 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017CC65857A0, 16 bytes long.
 Data: < eX&#198;|           > 00 65 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017CC6585840, 16 bytes long.
 Data: <&#216;dX&#198;|           > D8 64 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017CC65861F0, 16 bytes long.
 Data: <&#176;dX&#198;|           > B0 64 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017CC6585CA0, 16 bytes long.
 Data: <@ X&#198;|           > 40 03 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017CC6580340, 40 bytes long.
 Data: <&#160;\X&#198;|   &#208;&#211; &#200;|   > A0 5C 58 C6 7C 01 00 00 D0 D3 19 C8 7C 01 00 00 
{260} normal block at 0x0000017CC65857F0, 16 bytes long.
 Data: < dX&#198;|           > 90 64 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017CC65862E0, 16 bytes long.
 Data: <hdX&#198;|           > 68 64 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017CC6580EF0, 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 0x0000017CC6585980, 16 bytes long.
 Data: <@dX&#198;|           > 40 64 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017CC6586440, 992 bytes long.
 Data: < YX&#198;|   &#240; X&#198;|   > 80 59 58 C6 7C 01 00 00 F0 0E 58 C6 7C 01 00 00 
{92} normal block at 0x0000017CC6581310, 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 0x0000017CC657DFB0, 16 bytes long.
 Data: <P X&#198;|           > 50 06 58 C6 7C 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000017CC6580650, 40 bytes long.
 Data: <&#176;&#223;W&#198;|     X&#198;|   > B0 DF 57 C6 7C 01 00 00 10 13 58 C6 7C 01 00 00 
{69} normal block at 0x0000017CC657DCE0, 16 bytes long.
 Data: < &#234;&#130;f&#246;           > 80 EA 82 66 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017CC657DF10, 16 bytes long.
 Data: <@&#233;&#130;f&#246;           > 40 E9 82 66 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017CC657D380, 16 bytes long.
 Data: <&#248;W f&#246;           > F8 57 7F 66 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017CC657D560, 16 bytes long.
 Data: <&#216;W f&#246;           > D8 57 7F 66 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017CC657D920, 16 bytes long.
 Data: <P  f&#246;           > 50 04 7F 66 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017CC657DBF0, 16 bytes long.
 Data: <0  f&#246;           > 30 04 7F 66 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017CC657DEC0, 16 bytes long.
 Data: <&#224;  f&#246;           > E0 02 7F 66 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017CC657D8D0, 16 bytes long.
 Data: <   f&#246;           > 10 04 7F 66 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017CC657D290, 16 bytes long.
 Data: <p  f&#246;           > 70 04 7F 66 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017CC657D330, 16 bytes long.
 Data: < &#192;}f&#246;           > 18 C0 7D 66 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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