Task 38610225

Name MCL1_A26_A08_r0_3-QUICO_ATM_GAFF2_NAGL_MCL1-2-6-RND6093_2
Workunit 31562599
Created 15 Apr 2026, 7:48:27 UTC
Sent 15 Apr 2026, 7:48:37 UTC
Report deadline 20 Apr 2026, 7:48:37 UTC
Received 15 Apr 2026, 7:51:05 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 646385
Run time 1 min 16 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 7,472.71 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 24.37 MB
Peak swap size 12.91 MB
Peak disk usage 3.46 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
03:49:50 (1992): wrapper (7.9.26016): starting
03:49:50 (1992): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A08_0.pdb
QB_A26_A08_0.xml
QB_A26_A08.inpcrd
QB_A26_A08_input.yaml
QB_A26_A08.pdb
QB_A26_A08.prmtop
QB_A26_A08_sys.xml
run.bat
run.sh
03:49:51 (1992): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:49:51 (1992): 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: The specified module could not be found.
03:50:00 (1992): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
03:50:00 (1992): app exit status: 0x16
03:50:00 (1992): 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: 289567 bytes.
Dumping objects ->
{3835196} normal block at 0x0000027A979608A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000027A979612B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x0000027A97961710, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835163} normal block at 0x0000027A95CA3B40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835152} normal block at 0x0000027A95CA4240, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835121} normal block at 0x0000027A97A47890, 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) : {3835108} normal block at 0x0000027A95C9D930, 8 bytes long.
 Data: <  &#196;&#149;z   > 00 00 C4 95 7A 02 00 00 
{3833957} normal block at 0x0000027A95C9D2F0, 8 bytes long.
 Data: <P&#214;&#200;&#149;z   > 50 D6 C8 95 7A 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000027A95C90900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027A95C921F0, 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 0x0000027A95CA4990, 16 bytes long.
 Data: <8V&#202;&#149;z           > 38 56 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027A95CA44E0, 16 bytes long.
 Data: < V&#202;&#149;z           > 10 56 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027A95CA0990, 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 0x0000027A95CA4A80, 16 bytes long.
 Data: <&#232;U&#202;&#149;z           > E8 55 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027A95CA4940, 16 bytes long.
 Data: <&#192;U&#202;&#149;z           > C0 55 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027A95CA4D50, 16 bytes long.
 Data: < U&#202;&#149;z           > 98 55 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027A95CA4490, 16 bytes long.
 Data: <pU&#202;&#149;z           > 70 55 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027A95CA3C90, 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 0x0000027A95CA4FD0, 16 bytes long.
 Data: <  &#201;&#149;z           > 88 06 C9 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027A95CA0930, 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 0x0000027A95CA5070, 16 bytes long.
 Data: <` &#201;&#149;z           > 60 06 C9 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027A95CA4620, 16 bytes long.
 Data: <8 &#201;&#149;z           > 38 06 C9 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027A95CA4440, 16 bytes long.
 Data: <  &#201;&#149;z           > 10 06 C9 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027A95CA43A0, 16 bytes long.
 Data: <&#232; &#201;&#149;z           > E8 05 C9 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027A95CA52A0, 16 bytes long.
 Data: <&#192; &#201;&#149;z           > C0 05 C9 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027A95CA4E90, 16 bytes long.
 Data: <  &#201;&#149;z           > 98 05 C9 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027A95CA0D50, 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 0x0000027A95CA48F0, 16 bytes long.
 Data: <p &#201;&#149;z           > 70 05 C9 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027A95C90570, 320 bytes long.
 Data: <&#240;H&#202;&#149;z   P &#202;&#149;z   > F0 48 CA 95 7A 02 00 00 50 0D CA 95 7A 02 00 00 
{274} normal block at 0x0000027A95CA4530, 16 bytes long.
 Data: <PU&#202;&#149;z           > 50 55 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027A95CA48A0, 16 bytes long.
 Data: <(U&#202;&#149;z           > 28 55 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027A95CA0630, 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 0x0000027A95CA47B0, 16 bytes long.
 Data: < U&#202;&#149;z           > 00 55 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027A95CA0870, 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 0x0000027A95CA4EE0, 16 bytes long.
 Data: <HT&#202;&#149;z           > 48 54 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027A95CA4710, 16 bytes long.
 Data: < T&#202;&#149;z           > 20 54 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027A95CA49E0, 16 bytes long.
 Data: <&#248;S&#202;&#149;z           > F8 53 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027A95CA4D00, 16 bytes long.
 Data: <&#208;S&#202;&#149;z           > D0 53 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027A95CA43F0, 16 bytes long.
 Data: <&#168;S&#202;&#149;z           > A8 53 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027A95CA5020, 16 bytes long.
 Data: < S&#202;&#149;z           > 80 53 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027A95CA4C60, 16 bytes long.
 Data: <&#176;;&#202;&#149;z           > B0 3B CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027A95CA3BB0, 40 bytes long.
 Data: <`L&#202;&#149;z    x&#164;&#151;z   > 60 4C CA 95 7A 02 00 00 90 78 A4 97 7A 02 00 00 
{260} normal block at 0x0000027A95CA4B70, 16 bytes long.
 Data: <`S&#202;&#149;z           > 60 53 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027A95CA4350, 16 bytes long.
 Data: <8S&#202;&#149;z           > 38 53 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027A95CA1290, 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 0x0000027A95CA4B20, 16 bytes long.
 Data: < S&#202;&#149;z           > 10 53 CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027A95CA5310, 992 bytes long.
 Data: < K&#202;&#149;z     &#202;&#149;z   > 20 4B CA 95 7A 02 00 00 90 12 CA 95 7A 02 00 00 
{92} normal block at 0x0000027A95CA0750, 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 0x0000027A95C9CF30, 16 bytes long.
 Data: <P>&#202;&#149;z           > 50 3E CA 95 7A 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000027A95CA3E50, 40 bytes long.
 Data: <0&#207;&#201;&#149;z   P &#202;&#149;z   > 30 CF C9 95 7A 02 00 00 50 07 CA 95 7A 02 00 00 
{69} normal block at 0x0000027A95C9CF80, 16 bytes long.
 Data: < &#234; &#166;&#247;           > 80 EA 98 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027A95C9DA70, 16 bytes long.
 Data: <@&#233; &#166;&#247;           > 40 E9 98 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027A95C9D160, 16 bytes long.
 Data: <&#248;W&#149;&#166;&#247;           > F8 57 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027A95C9D5C0, 16 bytes long.
 Data: <&#216;W&#149;&#166;&#247;           > D8 57 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027A95C9DA20, 16 bytes long.
 Data: <P &#149;&#166;&#247;           > 50 04 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027A95C9D7F0, 16 bytes long.
 Data: <0 &#149;&#166;&#247;           > 30 04 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027A95C9D610, 16 bytes long.
 Data: <&#224; &#149;&#166;&#247;           > E0 02 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027A95C9D250, 16 bytes long.
 Data: <  &#149;&#166;&#247;           > 10 04 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027A95C9D480, 16 bytes long.
 Data: <p &#149;&#166;&#247;           > 70 04 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027A95C9DCF0, 16 bytes long.
 Data: < &#192;&#147;&#166;&#247;           > 18 C0 93 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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