Task 38609200

Name p38_A18_A08_r0_2-QUICO_ATM_OpenFF_p38-1-6-RND2906_0
Workunit 31562320
Created 14 Apr 2026, 21:44:31 UTC
Sent 14 Apr 2026, 21:44:33 UTC
Report deadline 19 Apr 2026, 21:44:33 UTC
Received 14 Apr 2026, 22:00:44 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 643084
Run time 4 min 54 sec
CPU time 2 min 7 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 445.97 MB
Peak swap size 6.08 GB
Peak disk usage 3.02 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>
23:55:23 (16360): wrapper (7.9.26016): starting
23:55:23 (16360): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A08_0.pdb
QB_A18_A08_0.xml
QB_A18_A08.inpcrd
QB_A18_A08_input.yaml
QB_A18_A08.pdb
QB_A18_A08.prmtop
QB_A18_A08_sys.xml
run.bat
run.sh
23:55:29 (16360): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:55:29 (16360): 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"
23:59:00 (16360): C:/Windows/system32/cmd.exe exited; CPU time 127.828125
23:59:00 (16360): app exit status: 0x16
23:59:00 (16360): 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: 2914323 bytes.
Dumping objects ->
{3835281} normal block at 0x0000026A5635E670, 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 0x0000026A548AB8A0, 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 0x0000026A548AB520, 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 0x0000026A548AC010, 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 0x0000026A548AB670, 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 0x0000026A5635E770, 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 0x0000026A563BFC10, 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 0x0000026A547CE610, 8 bytes long.
 Data: <  zTj   > 00 00 7A 54 6A 02 00 00 
{3834565} normal block at 0x0000026A563BF950, 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 0x0000026A547CDA30, 8 bytes long.
 Data: < &#229;{Tj   > 10 E5 7B 54 6A 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000026A547C15E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026A547C2600, 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 0x0000026A547D6800, 16 bytes long.
 Data: < v}Tj           > 08 76 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026A547D7020, 16 bytes long.
 Data: <&#224;u}Tj           > E0 75 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026A547D1F30, 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 0x0000026A547D6CB0, 16 bytes long.
 Data: <&#184;u}Tj           > B8 75 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026A547D6C60, 16 bytes long.
 Data: < u}Tj           > 90 75 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026A547D6FD0, 16 bytes long.
 Data: <hu}Tj           > 68 75 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026A547D6670, 16 bytes long.
 Data: <@u}Tj           > 40 75 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026A547D4C30, 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 0x0000026A547D67B0, 16 bytes long.
 Data: <X }Tj           > 58 12 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026A547D1AB0, 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 0x0000026A547D63F0, 16 bytes long.
 Data: <0 }Tj           > 30 12 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026A547D63A0, 16 bytes long.
 Data: <  }Tj           > 08 12 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026A547D6E40, 16 bytes long.
 Data: <&#224; }Tj           > E0 11 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026A547D6350, 16 bytes long.
 Data: <&#184; }Tj           > B8 11 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026A547D6BC0, 16 bytes long.
 Data: <  }Tj           > 90 11 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026A547D6B20, 16 bytes long.
 Data: <h }Tj           > 68 11 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026A547D1A50, 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 0x0000026A547D6300, 16 bytes long.
 Data: <@ }Tj           > 40 11 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026A547D1140, 320 bytes long.
 Data: < c}Tj   P }Tj   > 00 63 7D 54 6A 02 00 00 50 1A 7D 54 6A 02 00 00 
{274} normal block at 0x0000026A547D66C0, 16 bytes long.
 Data: < u}Tj           > 20 75 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026A547D6AD0, 16 bytes long.
 Data: <&#248;t}Tj           > F8 74 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026A547D19F0, 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 0x0000026A547D6DA0, 16 bytes long.
 Data: <&#208;t}Tj           > D0 74 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026A547D2110, 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 0x0000026A547D6440, 16 bytes long.
 Data: < t}Tj           > 18 74 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026A547D6DF0, 16 bytes long.
 Data: <&#240;s}Tj           > F0 73 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026A547D6760, 16 bytes long.
 Data: <&#200;s}Tj           > C8 73 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026A547D6620, 16 bytes long.
 Data: <&#160;s}Tj           > A0 73 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026A547D6F80, 16 bytes long.
 Data: <xs}Tj           > 78 73 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026A547D6D50, 16 bytes long.
 Data: <Ps}Tj           > 50 73 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026A547D6C10, 16 bytes long.
 Data: <&#224;J}Tj           > E0 4A 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026A547D4AE0, 40 bytes long.
 Data: < l}Tj   p&#231;5Vj   > 10 6C 7D 54 6A 02 00 00 70 E7 35 56 6A 02 00 00 
{260} normal block at 0x0000026A547D6530, 16 bytes long.
 Data: <0s}Tj           > 30 73 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026A547D6EE0, 16 bytes long.
 Data: < s}Tj           > 08 73 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026A547D1DB0, 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 0x0000026A547D6F30, 16 bytes long.
 Data: <&#224;r}Tj           > E0 72 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026A547D72E0, 992 bytes long.
 Data: <0o}Tj   &#176; }Tj   > 30 6F 7D 54 6A 02 00 00 B0 1D 7D 54 6A 02 00 00 
{92} normal block at 0x0000026A547D18D0, 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 0x0000026A547CDF30, 16 bytes long.
 Data: <&#192;K}Tj           > C0 4B 7D 54 6A 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000026A547D4BC0, 40 bytes long.
 Data: <0&#223;|Tj   &#208; }Tj   > 30 DF 7C 54 6A 02 00 00 D0 18 7D 54 6A 02 00 00 
{69} normal block at 0x0000026A547CE520, 16 bytes long.
 Data: < &#234;&#138;&#199;&#246;           > 80 EA 8A C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026A547CE4D0, 16 bytes long.
 Data: <@&#233;&#138;&#199;&#246;           > 40 E9 8A C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026A547CE020, 16 bytes long.
 Data: <&#248;W&#135;&#199;&#246;           > F8 57 87 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026A547CE480, 16 bytes long.
 Data: <&#216;W&#135;&#199;&#246;           > D8 57 87 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026A547CE3E0, 16 bytes long.
 Data: <P &#135;&#199;&#246;           > 50 04 87 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026A547CDB20, 16 bytes long.
 Data: <0 &#135;&#199;&#246;           > 30 04 87 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026A547CE660, 16 bytes long.
 Data: <&#224; &#135;&#199;&#246;           > E0 02 87 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026A547CE2F0, 16 bytes long.
 Data: <  &#135;&#199;&#246;           > 10 04 87 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026A547CE7A0, 16 bytes long.
 Data: <p &#135;&#199;&#246;           > 70 04 87 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026A547CDD00, 16 bytes long.
 Data: < &#192;&#133;&#199;&#246;           > 18 C0 85 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra