Task 38601483

Name MCL1_A26_A35_r0_3-QUICO_ATM_GAFF2_NAGL_MCL1-2-6-RND2918_0
Workunit 31556031
Created 9 Apr 2026, 14:07:09 UTC
Sent 9 Apr 2026, 14:07:13 UTC
Report deadline 14 Apr 2026, 14:07:13 UTC
Received 9 Apr 2026, 14:10:23 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 650752
Run time 1 min 3 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 20,320.37 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 39.29 MB
Peak swap size 27.38 MB
Peak disk usage 1.54 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:08:19 (15072): wrapper (7.9.26016): starting
16:08:19 (15072): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A35_0.pdb
QB_A26_A35_0.xml
QB_A26_A35.inpcrd
QB_A26_A35_input.yaml
QB_A26_A35.pdb
QB_A26_A35.prmtop
QB_A26_A35_sys.xml
run.bat
run.sh
16:08:20 (15072): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:08:20 (15072): 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 'C:\ProgramData\BOINC\slots\0\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 'C:\ProgramData\BOINC\slots\0\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.
Traceback (most recent call last):
  File "<frozen runpy>", line 198, in _run_module_as_main
  File "<frozen runpy>", line 88, in _run_code
  File "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 10, in rbfe_production
    from atom_openmm.openmm_async_re import openmm_job_RBFE
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 10, in <module>
    import openmm as mm
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\__init__.py", line 24, in <module>
    from openmm.openmm import *
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 10, in <module>
    from . import _openmm
ImportError: DLL load failed while importing _openmm: Das angegebene Modul wurde nicht gefunden.
16:08:30 (15072): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
16:08:30 (15072): app exit status: 0x16
16:08:30 (15072): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 269581 bytes.
Dumping objects ->
{3835244} normal block at 0x000001CBE2BE49C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001CBE2BE48E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000001CBE2BE44F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835211} normal block at 0x000001CBE2BE4790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x000001CBE2BE4870, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835169} normal block at 0x000001CBE482AC40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835156} normal block at 0x000001CBE2BDD4C0, 8 bytes long.
 Data: <   &#227;&#203;   > 00 00 05 E3 CB 01 00 00 
{3833951} normal block at 0x000001CBE2BDD100, 8 bytes long.
 Data: < &#214;&#188;&#226;&#203;   > 20 D6 BC E2 CB 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001CBE2BD1890, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CBE2BCEA10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001CBE2BE5D90, 16 bytes long.
 Data: < c&#190;&#226;&#203;           > 08 63 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CBE2BE5C00, 16 bytes long.
 Data: <&#224;b&#190;&#226;&#203;           > E0 62 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CBE2BE0D70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001CBE2BE5BB0, 16 bytes long.
 Data: <&#184;b&#190;&#226;&#203;           > B8 62 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CBE2BE5980, 16 bytes long.
 Data: < b&#190;&#226;&#203;           > 90 62 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CBE2BE5890, 16 bytes long.
 Data: <hb&#190;&#226;&#203;           > 68 62 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CBE2BE57F0, 16 bytes long.
 Data: <@b&#190;&#226;&#203;           > 40 62 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CBE2BE4720, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001CBE2BE5390, 16 bytes long.
 Data: <  &#189;&#226;&#203;           > 98 13 BD E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CBE2BE0EF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001CBE2BE5E30, 16 bytes long.
 Data: <p &#189;&#226;&#203;           > 70 13 BD E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CBE2BE5250, 16 bytes long.
 Data: <H &#189;&#226;&#203;           > 48 13 BD E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CBE2BE5D40, 16 bytes long.
 Data: <  &#189;&#226;&#203;           > 20 13 BD E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CBE2BE59D0, 16 bytes long.
 Data: <&#248; &#189;&#226;&#203;           > F8 12 BD E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CBE2BE53E0, 16 bytes long.
 Data: <&#208; &#189;&#226;&#203;           > D0 12 BD E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CBE2BE5840, 16 bytes long.
 Data: <&#168; &#189;&#226;&#203;           > A8 12 BD E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CBE2BE0CB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001CBE2BE5B60, 16 bytes long.
 Data: <  &#189;&#226;&#203;           > 80 12 BD E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CBE2BD1280, 320 bytes long.
 Data: <`[&#190;&#226;&#203;   &#176; &#190;&#226;&#203;   > 60 5B BE E2 CB 01 00 00 B0 0C BE E2 CB 01 00 00 
{271} normal block at 0x000001CBE2BE57A0, 16 bytes long.
 Data: < b&#190;&#226;&#203;           > 20 62 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CBE2BE51B0, 16 bytes long.
 Data: <&#248;a&#190;&#226;&#203;           > F8 61 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CBE2BE05F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001CBE2BE55C0, 16 bytes long.
 Data: <&#208;a&#190;&#226;&#203;           > D0 61 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CBE2BE0530, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001CBE2BE5700, 16 bytes long.
 Data: < a&#190;&#226;&#203;           > 18 61 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CBE2BE56B0, 16 bytes long.
 Data: <&#240;`&#190;&#226;&#203;           > F0 60 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CBE2BE5CF0, 16 bytes long.
 Data: <&#200;`&#190;&#226;&#203;           > C8 60 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CBE2BE54D0, 16 bytes long.
 Data: <&#160;`&#190;&#226;&#203;           > A0 60 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CBE2BE5A20, 16 bytes long.
 Data: <x`&#190;&#226;&#203;           > 78 60 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CBE2BE5200, 16 bytes long.
 Data: <P`&#190;&#226;&#203;           > 50 60 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CBE2BE5AC0, 16 bytes long.
 Data: < D&#190;&#226;&#203;           > 10 44 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CBE2BE4410, 40 bytes long.
 Data: <&#192;Z&#190;&#226;&#203;   @&#172;&#130;&#228;&#203;   > C0 5A BE E2 CB 01 00 00 40 AC 82 E4 CB 01 00 00 
{257} normal block at 0x000001CBE2BE5160, 16 bytes long.
 Data: <0`&#190;&#226;&#203;           > 30 60 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CBE2BE5750, 16 bytes long.
 Data: < `&#190;&#226;&#203;           > 08 60 BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CBE2BE0BF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001CBE2BE5610, 16 bytes long.
 Data: <&#224;_&#190;&#226;&#203;           > E0 5F BE E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001CBE2BE5FE0, 992 bytes long.
 Data: < V&#190;&#226;&#203;   &#240; &#190;&#226;&#203;   > 10 56 BE E2 CB 01 00 00 F0 0B BE E2 CB 01 00 00 
{89} normal block at 0x000001CBE2BE0C50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001CBE2BDD5B0, 16 bytes long.
 Data: < &#197;&#188;&#226;&#203;           > 20 C5 BC E2 CB 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001CBE2BCC520, 40 bytes long.
 Data: <&#176;&#213;&#189;&#226;&#203;   P &#190;&#226;&#203;   > B0 D5 BD E2 CB 01 00 00 50 0C BE E2 CB 01 00 00 
{66} normal block at 0x000001CBE2BDCDE0, 16 bytes long.
 Data: < &#234;&#192;&#186;&#246;           > 80 EA C0 BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CBE2BDD380, 16 bytes long.
 Data: <@&#233;&#192;&#186;&#246;           > 40 E9 C0 BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CBE2BDD470, 16 bytes long.
 Data: <&#248;W&#189;&#186;&#246;           > F8 57 BD BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CBE2BDD970, 16 bytes long.
 Data: <&#216;W&#189;&#186;&#246;           > D8 57 BD BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CBE2BDCE30, 16 bytes long.
 Data: <P &#189;&#186;&#246;           > 50 04 BD BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CBE2BDD7E0, 16 bytes long.
 Data: <0 &#189;&#186;&#246;           > 30 04 BD BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CBE2BDD790, 16 bytes long.
 Data: <&#224; &#189;&#186;&#246;           > E0 02 BD BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CBE2BDD420, 16 bytes long.
 Data: <  &#189;&#186;&#246;           > 10 04 BD BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CBE2BDD6A0, 16 bytes long.
 Data: <p &#189;&#186;&#246;           > 70 04 BD BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001CBE2BDD330, 16 bytes long.
 Data: < &#192;&#187;&#186;&#246;           > 18 C0 BB BA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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