Task 38616006

Name p38_2_A27_A31_r0_5-QUICO_ATM_OpenFF_NAGL_p38_2-0-6-RND3406_2
Workunit 31567936
Created 17 Apr 2026, 18:06:40 UTC
Sent 17 Apr 2026, 18:06:53 UTC
Report deadline 22 Apr 2026, 18:06:53 UTC
Received 17 Apr 2026, 18:13:14 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 40 sec
CPU time 56 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 539.24 MB
Peak swap size 6.17 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>
20:09:51 (33216): wrapper (7.9.26016): starting
20:09:51 (33216): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A31_0.pdb
QB_A27_A31_0.xml
QB_A27_A31.inpcrd
QB_A27_A31_input.yaml
QB_A27_A31.pdb
QB_A27_A31.prmtop
QB_A27_A31_sys.xml
run.bat
run.sh
20:09:57 (33216): Library/usr/bin/tar.exe exited; CPU time 0.093750
20:09:57 (33216): 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"
20:11:10 (33216): C:/Windows/system32/cmd.exe exited; CPU time 56.875000
20:11:10 (33216): app exit status: 0x16
20:11:10 (33216): 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: 1215721 bytes.
Dumping objects ->
{3835281} normal block at 0x000001B72A5AE040, 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 0x000001B72A60B350, 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 0x000001B72A60B820, 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 0x000001B72A60B660, 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 0x000001B72A60B5F0, 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 0x000001B72A5ADBC0, 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 0x000001B72A608E60, 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 0x000001B7287AD6B0, 8 bytes long.
 Data: <  &#203;(&#183;   > 00 00 CB 28 B7 01 00 00 
{3834565} normal block at 0x000001B72A609070, 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 0x000001B7287ADE80, 8 bytes long.
 Data: <&#224;&#214;y(&#183;   > E0 D6 79 28 B7 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B7287A13A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B7287A1EA0, 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 0x000001B7287B62C0, 16 bytes long.
 Data: <(i{(&#183;           > 28 69 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B7287B5EB0, 16 bytes long.
 Data: < i{(&#183;           > 00 69 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B7287B0EE0, 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 0x000001B7287B5F50, 16 bytes long.
 Data: <&#216;h{(&#183;           > D8 68 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B7287B58C0, 16 bytes long.
 Data: <&#176;h{(&#183;           > B0 68 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B7287B5E10, 16 bytes long.
 Data: < h{(&#183;           > 88 68 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B7287B5D20, 16 bytes long.
 Data: <`h{(&#183;           > 60 68 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B7287B07C0, 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 0x000001B7287B6400, 16 bytes long.
 Data: <( z(&#183;           > 28 07 7A 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B7287B1240, 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 0x000001B7287B5820, 16 bytes long.
 Data: <  z(&#183;           > 00 07 7A 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B7287B5C80, 16 bytes long.
 Data: <&#216; z(&#183;           > D8 06 7A 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B7287B6220, 16 bytes long.
 Data: <&#176; z(&#183;           > B0 06 7A 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B7287B57D0, 16 bytes long.
 Data: <  z(&#183;           > 88 06 7A 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B7287B5C30, 16 bytes long.
 Data: <` z(&#183;           > 60 06 7A 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B7287B56E0, 16 bytes long.
 Data: <8 z(&#183;           > 38 06 7A 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B7287B0BE0, 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 0x000001B7287B6090, 16 bytes long.
 Data: <  z(&#183;           > 10 06 7A 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B7287A0610, 320 bytes long.
 Data: < `{(&#183;   &#224; {(&#183;   > 90 60 7B 28 B7 01 00 00 E0 0B 7B 28 B7 01 00 00 
{274} normal block at 0x000001B7287B5BE0, 16 bytes long.
 Data: <@h{(&#183;           > 40 68 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B7287B6270, 16 bytes long.
 Data: < h{(&#183;           > 18 68 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B7287B10C0, 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 0x000001B7287B5D70, 16 bytes long.
 Data: <&#240;g{(&#183;           > F0 67 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B7287B11E0, 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 0x000001B7287B5F00, 16 bytes long.
 Data: <8g{(&#183;           > 38 67 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B7287B6360, 16 bytes long.
 Data: < g{(&#183;           > 10 67 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B7287B5FF0, 16 bytes long.
 Data: <&#232;f{(&#183;           > E8 66 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B7287B5730, 16 bytes long.
 Data: <&#192;f{(&#183;           > C0 66 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B7287B6040, 16 bytes long.
 Data: < f{(&#183;           > 98 66 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B7287B5910, 16 bytes long.
 Data: <pf{(&#183;           > 70 66 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B7287B5A00, 16 bytes long.
 Data: <&#208; {(&#183;           > D0 03 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B7287B03D0, 40 bytes long.
 Data: < Z{(&#183;   &#192;&#219;Z*&#183;   > 00 5A 7B 28 B7 01 00 00 C0 DB 5A 2A B7 01 00 00 
{260} normal block at 0x000001B7287B5B90, 16 bytes long.
 Data: <Pf{(&#183;           > 50 66 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B7287B5B40, 16 bytes long.
 Data: <(f{(&#183;           > 28 66 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B7287B0B20, 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 0x000001B7287B5DC0, 16 bytes long.
 Data: < f{(&#183;           > 00 66 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B7287B6600, 992 bytes long.
 Data: <&#192;]{(&#183;     {(&#183;   > C0 5D 7B 28 B7 01 00 00 20 0B 7B 28 B7 01 00 00 
{92} normal block at 0x000001B7287B1720, 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 0x000001B7287ADDE0, 16 bytes long.
 Data: <  {(&#183;           > 90 05 7B 28 B7 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001B7287B0590, 40 bytes long.
 Data: <&#224;&#221;z(&#183;     {(&#183;   > E0 DD 7A 28 B7 01 00 00 20 17 7B 28 B7 01 00 00 
{69} normal block at 0x000001B7287AD570, 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 0x000001B7287AD7A0, 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 0x000001B7287ADE30, 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 0x000001B7287AD070, 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 0x000001B7287ADD40, 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 0x000001B7287AD750, 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 0x000001B7287AD250, 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 0x000001B7287ADBB0, 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 0x000001B7287ADF70, 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 0x000001B7287ADB60, 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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