Task 38672212

Name test_82-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND2529_0
Workunit 31614376
Created 25 Oct 2026, 22:46:10 UTC
Sent 25 Oct 2026, 22:46:14 UTC
Report deadline 30 Oct 2026, 22:46:14 UTC
Received 26 Oct 2026, 0:13:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654663
Run time 53 min 54 sec
CPU time 48 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.82 MB
Peak swap size 8.62 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:20:48 (33776): wrapper (7.9.26016): starting
00:20:48 (33776): 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
00:20:49 (33776): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:20:49 (33776): 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.
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
01:13:04 (33776): C:/Windows/system32/cmd.exe exited; CPU time 2898.375000
01:13:04 (33776): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 68813521 bytes.
Dumping objects ->
{3835219} normal block at 0x000002188799DD20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000002188799DE70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000002188799D690, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000002188799D8C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000021885D154E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x00000218879E89B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x00000218879FF450, 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) : {3835130} normal block at 0x0000021885D0E600, 8 bytes long.
 Data: <  &#201;&#133;    > 00 00 C9 85 18 02 00 00 
{3834536} normal block at 0x00000218879FF500, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000021885D0DDE0, 8 bytes long.
 Data: < &#229;&#222;&#133;    > 10 E5 DE 85 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000021885D125E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021885D06AC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000021885D15EE0, 16 bytes long.
 Data: <&#184;m&#209;&#133;            > B8 6D D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021885D15FD0, 16 bytes long.
 Data: < m&#209;&#133;            > 90 6D D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021885D10070, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000021885D15E90, 16 bytes long.
 Data: <hm&#209;&#133;            > 68 6D D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021885D15DF0, 16 bytes long.
 Data: <@m&#209;&#133;            > 40 6D D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021885D16570, 16 bytes long.
 Data: < m&#209;&#133;            > 18 6D D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021885D15DA0, 16 bytes long.
 Data: <&#240;l&#209;&#133;            > F0 6C D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021885D14FA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000021885D15C60, 16 bytes long.
 Data: <(&#238;&#207;&#133;            > 28 EE CF 85 18 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021885D0FDD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000021885D15BC0, 16 bytes long.
 Data: < &#238;&#207;&#133;            > 00 EE CF 85 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021885D16980, 16 bytes long.
 Data: <&#216;&#237;&#207;&#133;            > D8 ED CF 85 18 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021885D15D50, 16 bytes long.
 Data: <&#176;&#237;&#207;&#133;            > B0 ED CF 85 18 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021885D160C0, 16 bytes long.
 Data: < &#237;&#207;&#133;            > 88 ED CF 85 18 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021885D16340, 16 bytes long.
 Data: <`&#237;&#207;&#133;            > 60 ED CF 85 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021885D167A0, 16 bytes long.
 Data: <8&#237;&#207;&#133;            > 38 ED CF 85 18 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021885D0FB90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000021885D16520, 16 bytes long.
 Data: < &#237;&#207;&#133;            > 10 ED CF 85 18 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021885CFED10, 320 bytes long.
 Data: < e&#209;&#133;     &#251;&#208;&#133;    > 20 65 D1 85 18 02 00 00 90 FB D0 85 18 02 00 00 
{276} normal block at 0x0000021885D168E0, 16 bytes long.
 Data: <&#208;l&#209;&#133;            > D0 6C D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021885D16930, 16 bytes long.
 Data: <&#168;l&#209;&#133;            > A8 6C D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021885D0FB30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000021885D164D0, 16 bytes long.
 Data: < l&#209;&#133;            > 80 6C D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021885D10490, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000021885D15CB0, 16 bytes long.
 Data: <&#200;k&#209;&#133;            > C8 6B D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021885D15B70, 16 bytes long.
 Data: <&#160;k&#209;&#133;            > A0 6B D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021885D15D00, 16 bytes long.
 Data: <xk&#209;&#133;            > 78 6B D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021885D16480, 16 bytes long.
 Data: <Pk&#209;&#133;            > 50 6B D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021885D16750, 16 bytes long.
 Data: <(k&#209;&#133;            > 28 6B D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021885D165C0, 16 bytes long.
 Data: < k&#209;&#133;            > 00 6B D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021885D16430, 16 bytes long.
 Data: <&#192;U&#209;&#133;            > C0 55 D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021885D155C0, 40 bytes long.
 Data: <0d&#209;&#133;    &#176;&#137;&#158;&#135;    > 30 64 D1 85 18 02 00 00 B0 89 9E 87 18 02 00 00 
{262} normal block at 0x0000021885D16070, 16 bytes long.
 Data: <&#224;j&#209;&#133;            > E0 6A D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021885D16700, 16 bytes long.
 Data: <&#184;j&#209;&#133;            > B8 6A D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021885D10250, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000021885D15E40, 16 bytes long.
 Data: < j&#209;&#133;            > 90 6A D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021885D16A90, 992 bytes long.
 Data: <@^&#209;&#133;    P &#209;&#133;    > 40 5E D1 85 18 02 00 00 50 02 D1 85 18 02 00 00 
{94} normal block at 0x0000021885D0FA70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000021885D0D9D0, 16 bytes long.
 Data: <PU&#209;&#133;            > 50 55 D1 85 18 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000021885D15550, 40 bytes long.
 Data: <&#208;&#217;&#208;&#133;    p&#250;&#208;&#133;    > D0 D9 D0 85 18 02 00 00 70 FA D0 85 18 02 00 00 
{71} normal block at 0x0000021885D0D930, 16 bytes long.
 Data: < &#234;&#232;&#246;&#247;           > 80 EA E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021885D0E560, 16 bytes long.
 Data: <@&#233;&#232;&#246;&#247;           > 40 E9 E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021885D0DD40, 16 bytes long.
 Data: <&#248;W&#229;&#246;&#247;           > F8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021885D0D6B0, 16 bytes long.
 Data: <&#216;W&#229;&#246;&#247;           > D8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021885D0E240, 16 bytes long.
 Data: <P &#229;&#246;&#247;           > 50 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021885D0E420, 16 bytes long.
 Data: <0 &#229;&#246;&#247;           > 30 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021885D0D7F0, 16 bytes long.
 Data: <&#224; &#229;&#246;&#247;           > E0 02 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021885D0DB60, 16 bytes long.
 Data: <  &#229;&#246;&#247;           > 10 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021885D0DE30, 16 bytes long.
 Data: <p &#229;&#246;&#247;           > 70 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021885D0E1F0, 16 bytes long.
 Data: < &#192;&#227;&#246;&#247;           > 18 C0 E3 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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