Task 38599554

Name MCL1_A08_A10_r0_1-QUICO_ATM_GAFF2_NAGL_MCL1-2-6-RND4588_0
Workunit 31554452
Created 8 Apr 2026, 18:52:03 UTC
Sent 8 Apr 2026, 18:52:12 UTC
Report deadline 13 Apr 2026, 18:52:12 UTC
Received 8 Apr 2026, 18:54:59 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 19 sec
CPU time 10 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 12,744.88 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 218.85 MB
Peak swap size 5.85 GB
Peak disk usage 1.46 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
20:53:11 (1512): wrapper (7.9.26016): starting
20:53:11 (1512): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A10_0.pdb
QB_A08_A10_0.xml
QB_A08_A10.inpcrd
QB_A08_A10_input.yaml
QB_A08_A10.pdb
QB_A08_A10.prmtop
QB_A08_A10_sys.xml
run.bat
run.sh
20:53:12 (1512): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:53:12 (1512): 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"
20:53:38 (1512): C:/Windows/system32/cmd.exe exited; CPU time 10.968750
20:53:38 (1512): app exit status: 0x16
20:53:38 (1512): 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: 494683 bytes.
Dumping objects ->
{3835274} normal block at 0x000002251F6AD950, 64 bytes long.
 Data: <PATH=E:\Programm> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D 
{3835263} normal block at 0x000002251D9CB340, 48 bytes long.
 Data: <HOME=E:\Programm> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D 
{3835252} normal block at 0x000002251D9CB810, 48 bytes long.
 Data: <TMP=E:\Programme> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D 65 
{3835241} normal block at 0x000002251D9CB6C0, 48 bytes long.
 Data: <TEMP=E:\Programm> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D 
{3835230} normal block at 0x000002251D9CB0A0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835199} normal block at 0x000002251F6AD250, 64 bytes long.
 Data: <PATH=E:\Programm> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D 
{3835188} normal block at 0x000002251F70E6F0, 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) : {3835185} normal block at 0x000002251D99D490, 8 bytes long.
 Data: <  &#232; %   > 00 00 E8 1D 25 02 00 00 
{3834562} normal block at 0x000002251F70EB10, 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 0x000002251D99D440, 8 bytes long.
 Data: <&#224;&#215;  %   > E0 D7 98 1D 25 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002251D990E50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002251D991C30, 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 0x000002251D9A5910, 16 bytes long.
 Data: < g&#154; %           > 98 67 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002251D9A5820, 16 bytes long.
 Data: <pg&#154; %           > 70 67 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002251D9A1280, 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 0x000002251D9A58C0, 16 bytes long.
 Data: <Hg&#154; %           > 48 67 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002251D9A5870, 16 bytes long.
 Data: < g&#154; %           > 20 67 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002251D9A5F00, 16 bytes long.
 Data: <&#248;f&#154; %           > F8 66 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002251D9A5EB0, 16 bytes long.
 Data: <&#208;f&#154; %           > D0 66 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002251D9A0670, 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 0x000002251D9A57D0, 16 bytes long.
 Data: <8&#243;  %           > 38 F3 98 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002251D9A0DA0, 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 0x000002251D9A56E0, 16 bytes long.
 Data: < &#243;  %           > 10 F3 98 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002251D9A5D70, 16 bytes long.
 Data: <&#232;&#242;  %           > E8 F2 98 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002251D9A6400, 16 bytes long.
 Data: <&#192;&#242;  %           > C0 F2 98 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002251D9A5780, 16 bytes long.
 Data: < &#242;  %           > 98 F2 98 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002251D9A5B40, 16 bytes long.
 Data: <p&#242;  %           > 70 F2 98 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002251D9A5FA0, 16 bytes long.
 Data: <H&#242;  %           > 48 F2 98 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002251D9A0E00, 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 0x000002251D9A5C30, 16 bytes long.
 Data: < &#242;  %           > 20 F2 98 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002251D98F220, 320 bytes long.
 Data: <0\&#154; %     &#154; %   > 30 5C 9A 1D 25 02 00 00 00 0E 9A 1D 25 02 00 00 
{274} normal block at 0x000002251D9A6310, 16 bytes long.
 Data: <&#176;f&#154; %           > B0 66 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002251D9A5730, 16 bytes long.
 Data: < f&#154; %           > 88 66 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002251D9A0CE0, 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 0x000002251D9A63B0, 16 bytes long.
 Data: <`f&#154; %           > 60 66 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002251D9A10A0, 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 0x000002251D9A6180, 16 bytes long.
 Data: <&#168;e&#154; %           > A8 65 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002251D9A5BE0, 16 bytes long.
 Data: < e&#154; %           > 80 65 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002251D9A5640, 16 bytes long.
 Data: <Xe&#154; %           > 58 65 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002251D9A5C80, 16 bytes long.
 Data: <0e&#154; %           > 30 65 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002251D9A55F0, 16 bytes long.
 Data: < e&#154; %           > 08 65 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002251D9A5690, 16 bytes long.
 Data: <&#224;d&#154; %           > E0 64 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002251D9A5500, 16 bytes long.
 Data: <P &#154; %           > 50 07 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002251D9A0750, 40 bytes long.
 Data: < U&#154; %   P&#210;j %   > 00 55 9A 1D 25 02 00 00 50 D2 6A 1F 25 02 00 00 
{260} normal block at 0x000002251D9A5DC0, 16 bytes long.
 Data: <&#192;d&#154; %           > C0 64 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002251D9A5550, 16 bytes long.
 Data: < d&#154; %           > 98 64 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002251D9A1A00, 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 0x000002251D9A5D20, 16 bytes long.
 Data: <pd&#154; %           > 70 64 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002251D9A6470, 992 bytes long.
 Data: < ]&#154; %     &#154; %   > 20 5D 9A 1D 25 02 00 00 00 1A 9A 1D 25 02 00 00 
{92} normal block at 0x000002251D9A11C0, 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 0x000002251D99DD00, 16 bytes long.
 Data: <  &#154; %           > 00 06 9A 1D 25 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002251D9A0600, 40 bytes long.
 Data: < &#221;  %   &#192; &#154; %   > 00 DD 99 1D 25 02 00 00 C0 11 9A 1D 25 02 00 00 
{69} normal block at 0x000002251D99DB20, 16 bytes long.
 Data: < &#234;	5&#247;           > 80 EA 09 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002251D99D6C0, 16 bytes long.
 Data: <@&#233;	5&#247;           > 40 E9 09 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002251D99D580, 16 bytes long.
 Data: <&#248;W 5&#247;           > F8 57 06 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002251D99DE90, 16 bytes long.
 Data: <&#216;W 5&#247;           > D8 57 06 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002251D99DC60, 16 bytes long.
 Data: <P  5&#247;           > 50 04 06 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002251D99D300, 16 bytes long.
 Data: <0  5&#247;           > 30 04 06 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002251D99D530, 16 bytes long.
 Data: <&#224;  5&#247;           > E0 02 06 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002251D99DE40, 16 bytes long.
 Data: <   5&#247;           > 10 04 06 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002251D99D940, 16 bytes long.
 Data: <p  5&#247;           > 70 04 06 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002251D99D2B0, 16 bytes long.
 Data: < &#192; 5&#247;           > 18 C0 04 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra