Task 38606493

Name hif2a_A04_A15_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a-0-6-RND1268_0
Workunit 31560277
Created 14 Apr 2026, 8:07:07 UTC
Sent 14 Apr 2026, 8:09:01 UTC
Report deadline 19 Apr 2026, 8:09:01 UTC
Received 14 Apr 2026, 8:14:34 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 24 sec
CPU time 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 234.60 MB
Peak swap size 5.86 GB
Peak disk usage 1.52 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>
10:11:49 (21716): wrapper (7.9.26016): starting
10:11:49 (21716): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A15_0.pdb
QB_A04_A15_0.xml
QB_A04_A15.inpcrd
QB_A04_A15_input.yaml
QB_A04_A15.pdb
QB_A04_A15.prmtop
QB_A04_A15_sys.xml
run.bat
run.sh
10:11:55 (21716): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:11:55 (21716): 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"
10:12:54 (21716): C:/Windows/system32/cmd.exe exited; CPU time 35.062500
10:12:54 (21716): app exit status: 0x16
10:12:54 (21716): 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: 895921 bytes.
Dumping objects ->
{3835281} normal block at 0x0000025476BD2230, 64 bytes long.
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{3835270} normal block at 0x0000025476C21510, 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 0x0000025476C216D0, 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 0x0000025476C20FD0, 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 0x0000025476C20E10, 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 0x0000025476BD1D30, 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 0x0000025476CAE450, 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 0x0000025474FFD800, 8 bytes long.
 Data: <  [uT   > 00 00 5B 75 54 02 00 00 
{3834565} normal block at 0x0000025476CAE660, 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 0x0000025474FFD940, 8 bytes long.
 Data: <&#224;&#214;&#254;tT   > E0 D6 FE 74 54 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000025474FF17A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025474FF1D00, 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 0x0000025475005C90, 16 bytes long.
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{293} normal block at 0x0000025475005970, 16 bytes long.
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{292} normal block at 0x00000254750017A0, 32 bytes long.
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{291} normal block at 0x0000025475005E70, 16 bytes long.
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{290} normal block at 0x0000025475005790, 16 bytes long.
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{289} normal block at 0x0000025475005A60, 16 bytes long.
 Data: <hf uT           > 68 66 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025475005BF0, 16 bytes long.
 Data: <@f uT           > 40 66 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025475000610, 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 0x00000254750056F0, 16 bytes long.
 Data: <( &#255;tT           > 28 0B FF 74 54 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025475000C00, 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 0x0000025475005600, 16 bytes long.
 Data: <  &#255;tT           > 00 0B FF 74 54 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000254750060A0, 16 bytes long.
 Data: <&#216; &#255;tT           > D8 0A FF 74 54 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025475005830, 16 bytes long.
 Data: <&#176; &#255;tT           > B0 0A FF 74 54 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000254750056A0, 16 bytes long.
 Data: <  &#255;tT           > 88 0A FF 74 54 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025475006280, 16 bytes long.
 Data: <` &#255;tT           > 60 0A FF 74 54 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025475005880, 16 bytes long.
 Data: <8 &#255;tT           > 38 0A FF 74 54 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025475000A20, 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 0x0000025475006230, 16 bytes long.
 Data: <  &#255;tT           > 10 0A FF 74 54 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025474FF0A10, 320 bytes long.
 Data: <0b uT      uT   > 30 62 00 75 54 02 00 00 20 0A 00 75 54 02 00 00 
{274} normal block at 0x00000254750058D0, 16 bytes long.
 Data: < f uT           > 20 66 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025475006370, 16 bytes long.
 Data: <&#248;e uT           > F8 65 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025475001020, 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 0x00000254750061E0, 16 bytes long.
 Data: <&#208;e uT           > D0 65 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025475001080, 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 0x0000025475006140, 16 bytes long.
 Data: < e uT           > 18 65 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000254750060F0, 16 bytes long.
 Data: <&#240;d uT           > F0 64 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025475005560, 16 bytes long.
 Data: <&#200;d uT           > C8 64 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025475005650, 16 bytes long.
 Data: <&#160;d uT           > A0 64 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000254750055B0, 16 bytes long.
 Data: <xd uT           > 78 64 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025475005BA0, 16 bytes long.
 Data: <Pd uT           > 50 64 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025475005A10, 16 bytes long.
 Data: <&#208;  uT           > D0 00 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000254750000D0, 40 bytes long.
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{260} normal block at 0x0000025475005C40, 16 bytes long.
 Data: <0d uT           > 30 64 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025475005D30, 16 bytes long.
 Data: < d uT           > 08 64 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025475000F60, 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 0x00000254750054C0, 16 bytes long.
 Data: <&#224;c uT           > E0 63 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000254750063E0, 992 bytes long.
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{92} normal block at 0x0000025475000A80, 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 0x0000025474FFCEF0, 16 bytes long.
 Data: <p  uT           > 70 03 00 75 54 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000025475000370, 40 bytes long.
 Data: <&#240;&#206;&#255;tT      uT   > F0 CE FF 74 54 02 00 00 80 0A 00 75 54 02 00 00 
{69} normal block at 0x0000025474FFD6C0, 16 bytes long.
 Data: < &#234;|&#197;&#247;           > 80 EA 7C C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025474FFD670, 16 bytes long.
 Data: <@&#233;|&#197;&#247;           > 40 E9 7C C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025474FFD3A0, 16 bytes long.
 Data: <&#248;Wy&#197;&#247;           > F8 57 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025474FFD440, 16 bytes long.
 Data: <&#216;Wy&#197;&#247;           > D8 57 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025474FFD350, 16 bytes long.
 Data: <P y&#197;&#247;           > 50 04 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025474FFDCB0, 16 bytes long.
 Data: <0 y&#197;&#247;           > 30 04 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025474FFD710, 16 bytes long.
 Data: <&#224; y&#197;&#247;           > E0 02 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025474FFD3F0, 16 bytes long.
 Data: <  y&#197;&#247;           > 10 04 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025474FFDAD0, 16 bytes long.
 Data: <p y&#197;&#247;           > 70 04 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025474FFD2B0, 16 bytes long.
 Data: < &#192;w&#197;&#247;           > 18 C0 77 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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