Task 38601090

Name PTP1B_A01_A23_r0_3-QUICO_ATM_GAFF2_NAGL_PTP1B-1-6-RND1129_0
Workunit 31555718
Created 9 Apr 2026, 10:19:55 UTC
Sent 9 Apr 2026, 10:19:56 UTC
Report deadline 14 Apr 2026, 10:19:56 UTC
Received 9 Apr 2026, 11:01:14 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 643627
Run time 35 min 3 sec
CPU time 32 min 39 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 83,076.53 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 613.90 MB
Peak swap size 13.00 GB
Peak disk usage 3.53 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run z��.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
05:20:56 (107876): wrapper (7.9.26016): starting
05:20:56 (107876): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A01_A23_0.pdb
QB_A01_A23_0.xml
QB_A01_A23.inpcrd
QB_A01_A23_input.yaml
QB_A01_A23.pdb
QB_A01_A23.prmtop
QB_A01_A23_sys.xml
run.bat
run.sh
05:20:57 (107876): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:20:57 (107876): 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\24\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\24\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.
05:55:07 (107876): C:/Windows/system32/cmd.exe exited; CPU time 1959.234375
05:55:07 (107876): app exit status: 0x16
05:55:07 (107876): 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: 43256431 bytes.
Dumping objects ->
{3835491} normal block at 0x0000019CC1A554B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x0000019CC1A55210, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x0000019CC1A550C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x0000019CC1A55050, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000019CC1A551A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x0000019CC391BE70, 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) : {3835403} normal block at 0x0000019CC1A4DB60, 8 bytes long.
 Data: <  &#245;&#193;&#156;   > 00 00 F5 C1 9C 01 00 00 
{3833963} normal block at 0x0000019CC1A4E380, 8 bytes long.
 Data: <PH&#151;&#195;&#156;   > 50 48 97 C3 9C 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000019CC1A41780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000019CC1A42C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000019CC1A56A70, 16 bytes long.
 Data: <Ho&#165;&#193;&#156;           > 48 6F A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019CC1A55DA0, 16 bytes long.
 Data: < o&#165;&#193;&#156;           > 20 6F A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019CC1A4FDA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000019CC1A56020, 16 bytes long.
 Data: <&#248;n&#165;&#193;&#156;           > F8 6E A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019CC1A56A20, 16 bytes long.
 Data: <&#208;n&#165;&#193;&#156;           > D0 6E A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019CC1A56AC0, 16 bytes long.
 Data: <&#168;n&#165;&#193;&#156;           > A8 6E A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019CC1A569D0, 16 bytes long.
 Data: < n&#165;&#193;&#156;           > 80 6E A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019CC1A55360, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000019CC1A563E0, 16 bytes long.
 Data: <h&#247;&#163;&#193;&#156;           > 68 F7 A3 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019CC1A4FF20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000019CC1A55FD0, 16 bytes long.
 Data: <@&#247;&#163;&#193;&#156;           > 40 F7 A3 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019CC1A56890, 16 bytes long.
 Data: < &#247;&#163;&#193;&#156;           > 18 F7 A3 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019CC1A56B10, 16 bytes long.
 Data: <&#240;&#246;&#163;&#193;&#156;           > F0 F6 A3 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019CC1A55D50, 16 bytes long.
 Data: <&#200;&#246;&#163;&#193;&#156;           > C8 F6 A3 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019CC1A56700, 16 bytes long.
 Data: <&#160;&#246;&#163;&#193;&#156;           > A0 F6 A3 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019CC1A56110, 16 bytes long.
 Data: <x&#246;&#163;&#193;&#156;           > 78 F6 A3 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019CC1A50520, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000019CC1A56390, 16 bytes long.
 Data: <P&#246;&#163;&#193;&#156;           > 50 F6 A3 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019CC1A3F650, 320 bytes long.
 Data: < c&#165;&#193;&#156;     &#165;&#193;&#156;   > 90 63 A5 C1 9C 01 00 00 20 05 A5 C1 9C 01 00 00 
{277} normal block at 0x0000019CC1A55D00, 16 bytes long.
 Data: <`n&#165;&#193;&#156;           > 60 6E A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019CC1A566B0, 16 bytes long.
 Data: <8n&#165;&#193;&#156;           > 38 6E A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019CC1A50160, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000019CC1A56980, 16 bytes long.
 Data: < n&#165;&#193;&#156;           > 10 6E A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019CC1A508E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000019CC1A56930, 16 bytes long.
 Data: <Xm&#165;&#193;&#156;           > 58 6D A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019CC1A56340, 16 bytes long.
 Data: <0m&#165;&#193;&#156;           > 30 6D A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019CC1A55EE0, 16 bytes long.
 Data: < m&#165;&#193;&#156;           > 08 6D A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019CC1A560C0, 16 bytes long.
 Data: <&#224;l&#165;&#193;&#156;           > E0 6C A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019CC1A56840, 16 bytes long.
 Data: <&#184;l&#165;&#193;&#156;           > B8 6C A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019CC1A56750, 16 bytes long.
 Data: < l&#165;&#193;&#156;           > 90 6C A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019CC1A55E40, 16 bytes long.
 Data: < R&#165;&#193;&#156;           > 80 52 A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019CC1A55280, 40 bytes long.
 Data: <@^&#165;&#193;&#156;   p&#190;&#145;&#195;&#156;   > 40 5E A5 C1 9C 01 00 00 70 BE 91 C3 9C 01 00 00 
{263} normal block at 0x0000019CC1A56070, 16 bytes long.
 Data: <pl&#165;&#193;&#156;           > 70 6C A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019CC1A55CB0, 16 bytes long.
 Data: <Hl&#165;&#193;&#156;           > 48 6C A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019CC1A50880, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000019CC1A56660, 16 bytes long.
 Data: < l&#165;&#193;&#156;           > 20 6C A5 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019CC1A56C20, 992 bytes long.
 Data: <`f&#165;&#193;&#156;     &#165;&#193;&#156;   > 60 66 A5 C1 9C 01 00 00 80 08 A5 C1 9C 01 00 00 
{95} normal block at 0x0000019CC1A505E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000019CC1A4E6A0, 16 bytes long.
 Data: <@&#224;&#163;&#193;&#156;           > 40 E0 A3 C1 9C 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000019CC1A3E040, 40 bytes long.
 Data: <&#160;&#230;&#164;&#193;&#156;   &#224; &#165;&#193;&#156;   > A0 E6 A4 C1 9C 01 00 00 E0 05 A5 C1 9C 01 00 00 
{72} normal block at 0x0000019CC1A4DAC0, 16 bytes long.
 Data: < &#234;Sn&#246;           > 80 EA 53 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000019CC1A4D9D0, 16 bytes long.
 Data: <@&#233;Sn&#246;           > 40 E9 53 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019CC1A4DCA0, 16 bytes long.
 Data: <&#248;WPn&#246;           > F8 57 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019CC1A4E010, 16 bytes long.
 Data: <&#216;WPn&#246;           > D8 57 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019CC1A4DFC0, 16 bytes long.
 Data: <P Pn&#246;           > 50 04 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019CC1A4DCF0, 16 bytes long.
 Data: <0 Pn&#246;           > 30 04 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019CC1A4E0B0, 16 bytes long.
 Data: <&#224; Pn&#246;           > E0 02 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019CC1A4DD90, 16 bytes long.
 Data: <  Pn&#246;           > 10 04 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019CC1A4D750, 16 bytes long.
 Data: <p Pn&#246;           > 70 04 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019CC1A4E150, 16 bytes long.
 Data: < &#192;Nn&#246;           > 18 C0 4E 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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