Task 38615813

Name HIF2A_2_A02_A35_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a_2-1-6-RND6899_0
Workunit 31568052
Created 17 Apr 2026, 17:26:58 UTC
Sent 17 Apr 2026, 17:52:27 UTC
Report deadline 22 Apr 2026, 17:52:27 UTC
Received 17 Apr 2026, 17:57:57 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 643084
Run time 3 min 9 sec
CPU time 45 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 199.44 MB
Peak swap size 5.83 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>
19:55:00 (32664): wrapper (7.9.26016): starting
19:55:00 (32664): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A35_0.pdb
QB_A02_A35_0.xml
QB_A02_A35.inpcrd
QB_A02_A35_input.yaml
QB_A02_A35.pdb
QB_A02_A35.prmtop
QB_A02_A35_sys.xml
run.bat
run.sh
19:55:05 (32664): Library/usr/bin/tar.exe exited; CPU time 0.046875
19:55:05 (32664): 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\14\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\14\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\14\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "E:\Programmes\BOINC\Donn&#233;es\slots\14\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\14\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\14\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "E:\Programmes\BOINC\Donn&#233;es\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "E:\Programmes\BOINC\Donn&#233;es\slots\14\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\14\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
    return _openmm.Platform_getPlatformByName(name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
19:56:46 (32664): C:/Windows/system32/cmd.exe exited; CPU time 45.046875
19:56:46 (32664): app exit status: 0x16
19:56:46 (32664): 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: 1571803 bytes.
Dumping objects ->
{3835281} normal block at 0x00000276A6A3EFF0, 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 0x00000276A4DBBCE0, 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 0x00000276A4DBC220, 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 0x00000276A4DBBC70, 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 0x00000276A4DBB960, 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 0x00000276A6A3EAF0, 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 0x00000276A69DB050, 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 0x00000276A4D8DEC0, 8 bytes long.
 Data: <  5&#165;v   > 00 00 35 A5 76 02 00 00 
{3834565} normal block at 0x00000276A69DAA20, 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 0x00000276A4D8D560, 8 bytes long.
 Data: <&#224;&#214;&#215;&#164;v   > E0 D6 D7 A4 76 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000276A4D80D50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000276A4D81F20, 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 0x00000276A4D96940, 16 bytes long.
 Data: <&#216;{&#217;&#164;v           > D8 7B D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000276A4D977A0, 16 bytes long.
 Data: <&#176;{&#217;&#164;v           > B0 7B D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000276A4D90B10, 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 0x00000276A4D976B0, 16 bytes long.
 Data: < {&#217;&#164;v           > 88 7B D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000276A4D96990, 16 bytes long.
 Data: <`{&#217;&#164;v           > 60 7B D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000276A4D97660, 16 bytes long.
 Data: <8{&#217;&#164;v           > 38 7B D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000276A4D97610, 16 bytes long.
 Data: < {&#217;&#164;v           > 10 7B D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000276A4D955E0, 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 0x00000276A4D97070, 16 bytes long.
 Data: <  &#216;&#164;v           > 18 07 D8 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000276A4D919B0, 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 0x00000276A4D96DA0, 16 bytes long.
 Data: <&#240; &#216;&#164;v           > F0 06 D8 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000276A4D97520, 16 bytes long.
 Data: <&#200; &#216;&#164;v           > C8 06 D8 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000276A4D96D50, 16 bytes long.
 Data: <&#160; &#216;&#164;v           > A0 06 D8 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000276A4D97840, 16 bytes long.
 Data: <x &#216;&#164;v           > 78 06 D8 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000276A4D97570, 16 bytes long.
 Data: <P &#216;&#164;v           > 50 06 D8 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000276A4D973E0, 16 bytes long.
 Data: <( &#216;&#164;v           > 28 06 D8 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000276A4D91410, 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 0x00000276A4D96AD0, 16 bytes long.
 Data: <  &#216;&#164;v           > 00 06 D8 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000276A4D80600, 320 bytes long.
 Data: <&#208;j&#217;&#164;v     &#217;&#164;v   > D0 6A D9 A4 76 02 00 00 10 14 D9 A4 76 02 00 00 
{274} normal block at 0x00000276A4D96CB0, 16 bytes long.
 Data: <&#240;z&#217;&#164;v           > F0 7A D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000276A4D97750, 16 bytes long.
 Data: <&#200;z&#217;&#164;v           > C8 7A D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000276A4D91230, 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 0x00000276A4D96D00, 16 bytes long.
 Data: <&#160;z&#217;&#164;v           > A0 7A D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000276A4D90F90, 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 0x00000276A4D972A0, 16 bytes long.
 Data: <&#232;y&#217;&#164;v           > E8 79 D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000276A4D97700, 16 bytes long.
 Data: <&#192;y&#217;&#164;v           > C0 79 D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000276A4D96C60, 16 bytes long.
 Data: < y&#217;&#164;v           > 98 79 D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000276A4D96B70, 16 bytes long.
 Data: <py&#217;&#164;v           > 70 79 D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000276A4D974D0, 16 bytes long.
 Data: <Hy&#217;&#164;v           > 48 79 D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000276A4D96E90, 16 bytes long.
 Data: < y&#217;&#164;v           > 20 79 D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000276A4D96F80, 16 bytes long.
 Data: <&#160;W&#217;&#164;v           > A0 57 D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000276A4D957A0, 40 bytes long.
 Data: < o&#217;&#164;v   &#240;&#234;&#163;&#166;v   > 80 6F D9 A4 76 02 00 00 F0 EA A3 A6 76 02 00 00 
{260} normal block at 0x00000276A4D972F0, 16 bytes long.
 Data: < y&#217;&#164;v           > 00 79 D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000276A4D975C0, 16 bytes long.
 Data: <&#216;x&#217;&#164;v           > D8 78 D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000276A4D918F0, 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 0x00000276A4D97340, 16 bytes long.
 Data: <&#176;x&#217;&#164;v           > B0 78 D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000276A4D978B0, 992 bytes long.
 Data: <@s&#217;&#164;v   &#240; &#217;&#164;v   > 40 73 D9 A4 76 02 00 00 F0 18 D9 A4 76 02 00 00 
{92} normal block at 0x00000276A4D90CF0, 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 0x00000276A4D8D290, 16 bytes long.
 Data: <`R&#217;&#164;v           > 60 52 D9 A4 76 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000276A4D95260, 40 bytes long.
 Data: < &#210;&#216;&#164;v   &#240; &#217;&#164;v   > 90 D2 D8 A4 76 02 00 00 F0 0C D9 A4 76 02 00 00 
{69} normal block at 0x00000276A4D8D7E0, 16 bytes long.
 Data: < &#234;&#250;&#217;&#247;           > 80 EA FA D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000276A4D8D830, 16 bytes long.
 Data: <@&#233;&#250;&#217;&#247;           > 40 E9 FA D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000276A4D8D240, 16 bytes long.
 Data: <&#248;W&#247;&#217;&#247;           > F8 57 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000276A4D8D8D0, 16 bytes long.
 Data: <&#216;W&#247;&#217;&#247;           > D8 57 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000276A4D8D600, 16 bytes long.
 Data: <P &#247;&#217;&#247;           > 50 04 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000276A4D8D510, 16 bytes long.
 Data: <0 &#247;&#217;&#247;           > 30 04 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000276A4D8DD80, 16 bytes long.
 Data: <&#224; &#247;&#217;&#247;           > E0 02 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000276A4D8D880, 16 bytes long.
 Data: <  &#247;&#217;&#247;           > 10 04 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000276A4D8D790, 16 bytes long.
 Data: <p &#247;&#217;&#247;           > 70 04 F7 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000276A4D8DE70, 16 bytes long.
 Data: < &#192;&#245;&#217;&#247;           > 18 C0 F5 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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