Task 38610586

Name p38_A18_A08_r0_3-QUICO_ATM_OpenFF_p38-0-6-RND1898_1
Workunit 31561500
Created 15 Apr 2026, 11:23:29 UTC
Sent 15 Apr 2026, 11:23:37 UTC
Report deadline 20 Apr 2026, 11:23:37 UTC
Received 15 Apr 2026, 11:27:52 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 643084
Run time 2 min 26 sec
CPU time 59 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 499.66 MB
Peak swap size 6.15 GB
Peak disk usage 1.44 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>
13:24:51 (240): wrapper (7.9.26016): starting
13:24:51 (240): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A08_0.pdb
QB_A18_A08_0.xml
QB_A18_A08.inpcrd
QB_A18_A08_input.yaml
QB_A18_A08.pdb
QB_A18_A08.prmtop
QB_A18_A08_sys.xml
run.bat
run.sh
13:24:56 (240): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:24:56 (240): 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"
13:26:11 (240): C:/Windows/system32/cmd.exe exited; CPU time 59.687500
13:26:11 (240): app exit status: 0x16
13:26:11 (240): 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: 1028319 bytes.
Dumping objects ->
{3835281} normal block at 0x0000021C51DCDC50, 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 0x0000021C51E681B0, 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 0x0000021C51E678F0, 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 0x0000021C51E67FF0, 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 0x0000021C51E67F80, 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 0x0000021C51DCD150, 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 0x0000021C51E2EE60, 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 0x0000021C5024D130, 8 bytes long.
 Data: <  "P    > 00 00 22 50 1C 02 00 00 
{3834565} normal block at 0x0000021C51E2E410, 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 0x0000021C5024DB80, 8 bytes long.
 Data: <@&#235;2P    > 40 EB 32 50 1C 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021C50240C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021C502424D0, 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 0x0000021C50255CF0, 16 bytes long.
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{293} normal block at 0x0000021C50255890, 16 bytes long.
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{292} normal block at 0x0000021C502511E0, 32 bytes long.
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{291} normal block at 0x0000021C50255980, 16 bytes long.
 Data: < i%P            > 98 69 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021C50256560, 16 bytes long.
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{289} normal block at 0x0000021C50255CA0, 16 bytes long.
 Data: <Hi%P            > 48 69 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021C50255840, 16 bytes long.
 Data: < i%P            > 20 69 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021C502508F0, 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 0x0000021C50256600, 16 bytes long.
 Data: <( $P            > 28 07 24 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021C50251840, 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 0x0000021C50255C00, 16 bytes long.
 Data: <  $P            > 00 07 24 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021C50255C50, 16 bytes long.
 Data: <&#216; $P            > D8 06 24 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021C502559D0, 16 bytes long.
 Data: <&#176; $P            > B0 06 24 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021C50255BB0, 16 bytes long.
 Data: <  $P            > 88 06 24 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021C50256420, 16 bytes long.
 Data: <` $P            > 60 06 24 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021C50256100, 16 bytes long.
 Data: <8 $P            > 38 06 24 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021C502510C0, 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 0x0000021C50255F70, 16 bytes long.
 Data: <  $P            > 10 06 24 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021C50240610, 320 bytes long.
 Data: <p_%P    &#192; %P    > 70 5F 25 50 1C 02 00 00 C0 10 25 50 1C 02 00 00 
{274} normal block at 0x0000021C50256290, 16 bytes long.
 Data: < i%P            > 00 69 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021C50255B60, 16 bytes long.
 Data: <&#216;h%P            > D8 68 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021C50251060, 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 0x0000021C50256240, 16 bytes long.
 Data: <&#176;h%P            > B0 68 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021C50251180, 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 0x0000021C50256470, 16 bytes long.
 Data: <&#248;g%P            > F8 67 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021C50256150, 16 bytes long.
 Data: <&#208;g%P            > D0 67 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021C50255A20, 16 bytes long.
 Data: <&#168;g%P            > A8 67 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021C502561F0, 16 bytes long.
 Data: < g%P            > 80 67 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021C50256010, 16 bytes long.
 Data: <Xg%P            > 58 67 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021C50255B10, 16 bytes long.
 Data: <0g%P            > 30 67 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021C502565B0, 16 bytes long.
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{261} normal block at 0x0000021C50250960, 40 bytes long.
 Data: <&#176;e%P    P&#209;&#220;Q    > B0 65 25 50 1C 02 00 00 50 D1 DC 51 1C 02 00 00 
{260} normal block at 0x0000021C50255AC0, 16 bytes long.
 Data: < g%P            > 10 67 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021C50255D90, 16 bytes long.
 Data: <&#232;f%P            > E8 66 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021C50251A80, 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 0x0000021C50255750, 16 bytes long.
 Data: <&#192;f%P            > C0 66 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021C502566C0, 992 bytes long.
 Data: <PW%P      %P    > 50 57 25 50 1C 02 00 00 80 1A 25 50 1C 02 00 00 
{92} normal block at 0x0000021C50250F40, 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 0x0000021C5024DA40, 16 bytes long.
 Data: <&#192; %P            > C0 06 25 50 1C 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000021C502506C0, 40 bytes long.
 Data: <@&#218;$P    @ %P    > 40 DA 24 50 1C 02 00 00 40 0F 25 50 1C 02 00 00 
{69} normal block at 0x0000021C5024D0E0, 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 0x0000021C5024DE50, 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 0x0000021C5024DD60, 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 0x0000021C5024DE00, 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 0x0000021C5024D450, 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 0x0000021C5024D1D0, 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 0x0000021C5024D680, 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 0x0000021C5024D360, 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 0x0000021C5024DF40, 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 0x0000021C5024D590, 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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