Task 38671836

Name test_423-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND7893_0
Workunit 31614021
Created 25 Oct 2026, 21:43:28 UTC
Sent 25 Oct 2026, 21:43:31 UTC
Report deadline 30 Oct 2026, 21:43:31 UTC
Received 27 Oct 2026, 15:01:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 28 min 4 sec
CPU time 24 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.37 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:34:12 (24228): wrapper (7.9.26016): starting
10:34:12 (24228): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
10:34:14 (24228): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:34:14 (24228): 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\21\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\21\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.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
11:00:45 (24228): C:/Windows/system32/cmd.exe exited; CPU time 1488.296875
11:00:45 (24228): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 30890551 bytes.
Dumping objects ->
{3835236} normal block at 0x0000026531974850, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000026531974EE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000026531974E70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000026531974D90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000026531974CB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x000002653387A9C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000002653388E9B0, 103 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) : {3835147} normal block at 0x000002653196F430, 8 bytes long.
 Data: <  &#247;1e   > 00 00 F7 31 65 02 00 00 
{3834543} normal block at 0x000002653388E430, 103 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002653196F340, 8 bytes long.
 Data: < R 3e   > 90 52 90 33 65 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000026531970F00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002653195EAA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000026531975800, 16 bytes long.
 Data: <&#216;f&#151;1e           > D8 66 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026531976250, 16 bytes long.
 Data: <&#176;f&#151;1e           > B0 66 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000265319705D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000026531975C10, 16 bytes long.
 Data: < f&#151;1e           > 88 66 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026531976200, 16 bytes long.
 Data: <`f&#151;1e           > 60 66 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026531975710, 16 bytes long.
 Data: <8f&#151;1e           > 38 66 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026531975EE0, 16 bytes long.
 Data: < f&#151;1e           > 10 66 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026531974D20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000026531975B70, 16 bytes long.
 Data: <&#248;&#142;&#150;1e           > F8 8E 96 31 65 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002653196FCD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000026531975760, 16 bytes long.
 Data: <&#208;&#142;&#150;1e           > D0 8E 96 31 65 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000265319761B0, 16 bytes long.
 Data: <&#168;&#142;&#150;1e           > A8 8E 96 31 65 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026531975C60, 16 bytes long.
 Data: < &#142;&#150;1e           > 80 8E 96 31 65 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026531976160, 16 bytes long.
 Data: <X&#142;&#150;1e           > 58 8E 96 31 65 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000265319762F0, 16 bytes long.
 Data: <0&#142;&#150;1e           > 30 8E 96 31 65 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026531975AD0, 16 bytes long.
 Data: < &#142;&#150;1e           > 08 8E 96 31 65 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002653196FA30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000026531976110, 16 bytes long.
 Data: <&#224; &#150;1e           > E0 8D 96 31 65 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026531968DE0, 320 bytes long.
 Data: < a&#151;1e   0&#250;&#150;1e   > 10 61 97 31 65 02 00 00 30 FA 96 31 65 02 00 00 
{275} normal block at 0x0000026531976070, 16 bytes long.
 Data: <&#240;e&#151;1e           > F0 65 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026531975580, 16 bytes long.
 Data: <&#200;e&#151;1e           > C8 65 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002653196FAF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000026531975E40, 16 bytes long.
 Data: <&#160;e&#151;1e           > A0 65 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002653196F9D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000026531975620, 16 bytes long.
 Data: <&#232;d&#151;1e           > E8 64 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000265319760C0, 16 bytes long.
 Data: <&#192;d&#151;1e           > C0 64 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026531975530, 16 bytes long.
 Data: < d&#151;1e           > 98 64 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000265319759E0, 16 bytes long.
 Data: <pd&#151;1e           > 70 64 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026531975BC0, 16 bytes long.
 Data: <Hd&#151;1e           > 48 64 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026531975B20, 16 bytes long.
 Data: < d&#151;1e           > 20 64 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026531975DF0, 16 bytes long.
 Data: <`K&#151;1e           > 60 4B 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026531974B60, 40 bytes long.
 Data: <&#240;]&#151;1e   &#192;&#169;&#135;3e   > F0 5D 97 31 65 02 00 00 C0 A9 87 33 65 02 00 00 
{261} normal block at 0x0000026531975990, 16 bytes long.
 Data: < d&#151;1e           > 00 64 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000265319762A0, 16 bytes long.
 Data: <&#216;c&#151;1e           > D8 63 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002653196F8B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000026531976020, 16 bytes long.
 Data: <&#176;c&#151;1e           > B0 63 97 31 65 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000265319763B0, 992 bytes long.
 Data: < `&#151;1e   &#176;&#248;&#150;1e   > 20 60 97 31 65 02 00 00 B0 F8 96 31 65 02 00 00 
{93} normal block at 0x000002653196FC70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002653196F520, 16 bytes long.
 Data: < &#226;&#149;1e           > 20 E2 95 31 65 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002653195E220, 40 bytes long.
 Data: < &#245;&#150;1e   p&#252;&#150;1e   > 20 F5 96 31 65 02 00 00 70 FC 96 31 65 02 00 00 
{70} normal block at 0x000002653196E990, 16 bytes long.
 Data: < &#234;&#132; &#247;           > 80 EA 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002653196F660, 16 bytes long.
 Data: <@&#233;&#132; &#247;           > 40 E9 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002653196F1B0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002653196EA80, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002653196F4D0, 16 bytes long.
 Data: <P   &#247;           > 50 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002653196F610, 16 bytes long.
 Data: <0   &#247;           > 30 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002653196F7F0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002653196ED50, 16 bytes long.
 Data: <    &#247;           > 10 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002653196F5C0, 16 bytes long.
 Data: <p   &#247;           > 70 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002653196EB70, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 7F 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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