Task 38686248

Name test_301-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND0594_0
Workunit 31627686
Created 28 Oct 2026, 1:32:33 UTC
Sent 28 Oct 2026, 1:32:34 UTC
Report deadline 2 Nov 2026, 1:32:34 UTC
Received 28 Oct 2026, 2:34:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 495923
Run time 29 min 6 sec
CPU time 28 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,792.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.40 MB
Peak swap size 9.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:06:05 (3032): wrapper (7.9.26016): starting
21:06:05 (3032): 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
21:06:06 (3032): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:06:06 (3032): 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
21:34:16 (3032): C:/Windows/system32/cmd.exe exited; CPU time 1681.390625
21:34:16 (3032): 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: 42523183 bytes.
Dumping objects ->
{3835236} normal block at 0x0000017813841640, 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 0x0000017813840C30, 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 0x0000017813841100, 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 0x0000017813840920, 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 0x0000017813840E60, 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 0x000001781393C340, 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 0x000001781394F190, 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) : {3835147} normal block at 0x0000017811BADC60, 8 bytes long.
 Data: <  &#165; x   > 00 00 A5 13 78 01 00 00 
{3834547} normal block at 0x000001781394F240, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x0000017811BADB70, 8 bytes long.
 Data: <&#208;F&#156; x   > D0 46 9C 13 78 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000017811BB2D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000017811BA2DC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000017811BB6A00, 16 bytes long.
 Data: <Xq&#187; x           > 58 71 BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000017811BB6960, 16 bytes long.
 Data: <0q&#187; x           > 30 71 BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017811BAFE10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000017811BB60A0, 16 bytes long.
 Data: < q&#187; x           > 08 71 BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017811BB6CD0, 16 bytes long.
 Data: <&#224;p&#187; x           > E0 70 BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017811BB6870, 16 bytes long.
 Data: <&#184;p&#187; x           > B8 70 BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017811BB6190, 16 bytes long.
 Data: < p&#187; x           > 90 70 BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017811BB0930, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000017811BB6050, 16 bytes long.
 Data: <&#168;&#245;&#186; x           > A8 F5 BA 11 78 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017811BB0410, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000017811BB6320, 16 bytes long.
 Data: < &#245;&#186; x           > 80 F5 BA 11 78 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017811BB69B0, 16 bytes long.
 Data: <X&#245;&#186; x           > 58 F5 BA 11 78 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017811BB6230, 16 bytes long.
 Data: <0&#245;&#186; x           > 30 F5 BA 11 78 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017811BB65F0, 16 bytes long.
 Data: < &#245;&#186; x           > 08 F5 BA 11 78 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017811BB67D0, 16 bytes long.
 Data: <&#224;&#244;&#186; x           > E0 F4 BA 11 78 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017811BB6730, 16 bytes long.
 Data: <&#184;&#244;&#186; x           > B8 F4 BA 11 78 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017811BB0350, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000017811BB6DC0, 16 bytes long.
 Data: < &#244;&#186; x           > 90 F4 BA 11 78 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017811BAF490, 320 bytes long.
 Data: <&#192;m&#187; x   P &#187; x   > C0 6D BB 11 78 01 00 00 50 03 BB 11 78 01 00 00 
{280} normal block at 0x0000017811BB5F60, 16 bytes long.
 Data: <pp&#187; x           > 70 70 BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017811BB6AF0, 16 bytes long.
 Data: <Hp&#187; x           > 48 70 BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017811BB0470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000017811BB6780, 16 bytes long.
 Data: < p&#187; x           > 20 70 BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017811BAFB70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000017811BB6690, 16 bytes long.
 Data: <ho&#187; x           > 68 6F BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017811BB6820, 16 bytes long.
 Data: <@o&#187; x           > 40 6F BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017811BB5FB0, 16 bytes long.
 Data: < o&#187; x           > 18 6F BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017811BB5EC0, 16 bytes long.
 Data: <&#240;n&#187; x           > F0 6E BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017811BB61E0, 16 bytes long.
 Data: <&#200;n&#187; x           > C8 6E BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017811BB66E0, 16 bytes long.
 Data: <&#160;n&#187; x           > A0 6E BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017811BB5E70, 16 bytes long.
 Data: <  &#187; x           > 80 0A BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017811BB0A80, 40 bytes long.
 Data: <p^&#187; x   @&#195;&#147; x   > 70 5E BB 11 78 01 00 00 40 C3 93 13 78 01 00 00 
{266} normal block at 0x0000017811BB62D0, 16 bytes long.
 Data: < n&#187; x           > 80 6E BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017811BB6910, 16 bytes long.
 Data: <Xn&#187; x           > 58 6E BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017811BB0110, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000017811BB6C80, 16 bytes long.
 Data: <0n&#187; x           > 30 6E BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017811BB6E30, 992 bytes long.
 Data: < l&#187; x     &#187; x   > 80 6C BB 11 78 01 00 00 10 01 BB 11 78 01 00 00 
{98} normal block at 0x0000017811BB0230, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000017811BAE390, 16 bytes long.
 Data: <P &#187; x           > 50 08 BB 11 78 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000017811BB0850, 40 bytes long.
 Data: < &#227;&#186; x   0 &#187; x   > 90 E3 BA 11 78 01 00 00 30 02 BB 11 78 01 00 00 
{75} normal block at 0x0000017811BADF80, 16 bytes long.
 Data: < &#234;&#162;&#229;&#246;           > 80 EA A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000017811BAE160, 16 bytes long.
 Data: <@&#233;&#162;&#229;&#246;           > 40 E9 A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000017811BAD8A0, 16 bytes long.
 Data: <&#248;W&#159;&#229;&#246;           > F8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000017811BAD800, 16 bytes long.
 Data: <&#216;W&#159;&#229;&#246;           > D8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017811BADB20, 16 bytes long.
 Data: <P &#159;&#229;&#246;           > 50 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017811BAE020, 16 bytes long.
 Data: <0 &#159;&#229;&#246;           > 30 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017811BAE660, 16 bytes long.
 Data: <&#224; &#159;&#229;&#246;           > E0 02 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017811BAD7B0, 16 bytes long.
 Data: <  &#159;&#229;&#246;           > 10 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017811BADE90, 16 bytes long.
 Data: <p &#159;&#229;&#246;           > 70 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017811BADC10, 16 bytes long.
 Data: < &#192; &#229;&#246;           > 18 C0 9D E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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