Task 38602022

Name p38_A05_A11_r0_2-QUICO_ATM_GAFF2_NAGL_p38-2-6-RND3526_0
Workunit 31556497
Created 9 Apr 2026, 20:29:23 UTC
Sent 9 Apr 2026, 20:29:31 UTC
Report deadline 14 Apr 2026, 20:29:31 UTC
Received 9 Apr 2026, 20:33:36 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 35 sec
CPU time 17 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 287.31 MB
Peak swap size 5.93 GB
Peak disk usage 1.47 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>
22:30:30 (17592): wrapper (7.9.26016): starting
22:30:30 (17592): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A11_0.pdb
QB_A05_A11_0.xml
QB_A05_A11.inpcrd
QB_A05_A11_input.yaml
QB_A05_A11.pdb
QB_A05_A11.prmtop
QB_A05_A11_sys.xml
run.bat
run.sh
22:30:31 (17592): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:30:31 (17592): 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"
22:31:12 (17592): C:/Windows/system32/cmd.exe exited; CPU time 26.968750
22:31:12 (17592): app exit status: 0x16
22:31:12 (17592): 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: 671769 bytes.
Dumping objects ->
{3835281} normal block at 0x0000021A3334D7D0, 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 0x0000021A3160B2D0, 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 0x0000021A3160B1F0, 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 0x0000021A3160B340, 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 0x0000021A3160B180, 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 0x0000021A3334D8D0, 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 0x0000021A333AE6F0, 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 0x0000021A315DD350, 8 bytes long.
 Data: <  &#178;1    > 00 00 B2 31 1A 02 00 00 
{3834565} normal block at 0x0000021A333AE850, 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 0x0000021A315DD1C0, 8 bytes long.
 Data: <&#224;&#215;\1    > E0 D7 5C 31 1A 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021A315D1490, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021A315D2020, 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 0x0000021A315E5B40, 16 bytes long.
 Data: < g^1            > 98 67 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021A315E55F0, 16 bytes long.
 Data: <pg^1            > 70 67 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021A315E11C0, 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 0x0000021A315E60E0, 16 bytes long.
 Data: <Hg^1            > 48 67 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021A315E5960, 16 bytes long.
 Data: < g^1            > 20 67 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021A315E5E60, 16 bytes long.
 Data: <&#248;f^1            > F8 66 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021A315E5DC0, 16 bytes long.
 Data: <&#208;f^1            > D0 66 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021A315E0590, 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 0x0000021A315E6360, 16 bytes long.
 Data: <8&#243;\1            > 38 F3 5C 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021A315E0CE0, 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 0x0000021A315E6040, 16 bytes long.
 Data: < &#243;\1            > 10 F3 5C 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021A315E5870, 16 bytes long.
 Data: <&#232;&#242;\1            > E8 F2 5C 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021A315E5550, 16 bytes long.
 Data: <&#192;&#242;\1            > C0 F2 5C 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021A315E6130, 16 bytes long.
 Data: < &#242;\1            > 98 F2 5C 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021A315E6310, 16 bytes long.
 Data: <p&#242;\1            > 70 F2 5C 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021A315E5A00, 16 bytes long.
 Data: <H&#242;\1            > 48 F2 5C 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021A315E1160, 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 0x0000021A315E58C0, 16 bytes long.
 Data: < &#242;\1            > 20 F2 5C 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021A315CF220, 320 bytes long.
 Data: <&#192;X^1    ` ^1    > C0 58 5E 31 1A 02 00 00 60 11 5E 31 1A 02 00 00 
{274} normal block at 0x0000021A315E5780, 16 bytes long.
 Data: <&#176;f^1            > B0 66 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021A315E5B90, 16 bytes long.
 Data: < f^1            > 88 66 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021A315E0DA0, 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 0x0000021A315E5FA0, 16 bytes long.
 Data: <`f^1            > 60 66 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021A315E1340, 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 0x0000021A315E5640, 16 bytes long.
 Data: <&#168;e^1            > A8 65 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021A315E5F00, 16 bytes long.
 Data: < e^1            > 80 65 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021A315E5EB0, 16 bytes long.
 Data: <Xe^1            > 58 65 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021A315E5730, 16 bytes long.
 Data: <0e^1            > 30 65 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021A315E5D20, 16 bytes long.
 Data: < e^1            > 08 65 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021A315E5E10, 16 bytes long.
 Data: <&#224;d^1            > E0 64 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021A315E5F50, 16 bytes long.
 Data: <@ ^1            > 40 04 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021A315E0440, 40 bytes long.
 Data: <P_^1    &#208;&#216;43    > 50 5F 5E 31 1A 02 00 00 D0 D8 34 33 1A 02 00 00 
{260} normal block at 0x0000021A315E57D0, 16 bytes long.
 Data: <&#192;d^1            > C0 64 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021A315E56E0, 16 bytes long.
 Data: < d^1            > 98 64 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021A315E0F80, 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 0x0000021A315E5C80, 16 bytes long.
 Data: <pd^1            > 70 64 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021A315E6470, 992 bytes long.
 Data: < \^1      ^1    > 80 5C 5E 31 1A 02 00 00 80 0F 5E 31 1A 02 00 00 
{92} normal block at 0x0000021A315E17C0, 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 0x0000021A315DD6C0, 16 bytes long.
 Data: <p ^1            > 70 06 5E 31 1A 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000021A315E0670, 40 bytes long.
 Data: <&#192;&#214;]1    &#192; ^1    > C0 D6 5D 31 1A 02 00 00 C0 17 5E 31 1A 02 00 00 
{69} normal block at 0x0000021A315DDDF0, 16 bytes long.
 Data: < &#234;&#189;&#238;&#247;           > 80 EA BD EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021A315DDCB0, 16 bytes long.
 Data: <@&#233;&#189;&#238;&#247;           > 40 E9 BD EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021A315DDB20, 16 bytes long.
 Data: <&#248;W&#186;&#238;&#247;           > F8 57 BA EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021A315DD4E0, 16 bytes long.
 Data: <&#216;W&#186;&#238;&#247;           > D8 57 BA EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021A315DD5D0, 16 bytes long.
 Data: <P &#186;&#238;&#247;           > 50 04 BA EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021A315DD8A0, 16 bytes long.
 Data: <0 &#186;&#238;&#247;           > 30 04 BA EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021A315DDFD0, 16 bytes long.
 Data: <&#224; &#186;&#238;&#247;           > E0 02 BA EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021A315DDD00, 16 bytes long.
 Data: <  &#186;&#238;&#247;           > 10 04 BA EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021A315DD8F0, 16 bytes long.
 Data: <p &#186;&#238;&#247;           > 70 04 BA EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021A315DDDA0, 16 bytes long.
 Data: < &#192;&#184;&#238;&#247;           > 18 C0 B8 EE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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