Task 38686264

Name test_564-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8186_0
Workunit 31627702
Created 28 Oct 2026, 1:37:59 UTC
Sent 28 Oct 2026, 1:38:05 UTC
Report deadline 2 Nov 2026, 1:38:05 UTC
Received 28 Oct 2026, 2:57:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 163955
Run time 19 min 50 sec
CPU time 16 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.55 MB
Peak swap size 8.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:37:35 (18104): wrapper (7.9.26016): starting
03:37:35 (18104): 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
03:37:36 (18104): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:37:36 (18104): 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 'G:\PROGRAM1\BOINC\DATA\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 'G:\PROGRAM1\BOINC\DATA\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
03:56:52 (18104): C:/Windows/system32/cmd.exe exited; CPU time 1004.156250
03:56:52 (18104): 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: 20733019 bytes.
Dumping objects ->
{3835289} normal block at 0x00000227FCDFF470, 48 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835278} normal block at 0x00000227FCDFE910, 48 bytes long.
 Data: <HOME=G:\PROGRAM1> 48 4F 4D 45 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835267} normal block at 0x00000227FB146940, 48 bytes long.
 Data: <TMP=G:\PROGRAM1\> 54 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 5C 
{3835256} normal block at 0x00000227FB146860, 48 bytes long.
 Data: <TEMP=G:\PROGRAM1> 54 45 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835245} normal block at 0x00000227FB1468D0, 48 bytes long.
 Data: <TMPDIR=G:\PROGRA> 54 4D 50 44 49 52 3D 47 3A 5C 50 52 4F 47 52 41 
{3835214} normal block at 0x00000227FCE48010, 64 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835203} normal block at 0x00000227FCE600C0, 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) : {3835200} normal block at 0x00000227FB13F920, 8 bytes long.
 Data: <   &#251;'   > 00 00 0C FB 27 02 00 00 
{3834573} normal block at 0x00000227FCE5FE00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000227FB13FAB0, 8 bytes long.
 Data: <p&#235;!&#251;'   > 70 EB 21 FB 27 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000227FB142C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000227FB137F10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000227FB147160, 16 bytes long.
 Data: <&#248;~ &#251;'           > F8 7E 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000227FB147890, 16 bytes long.
 Data: <&#208;~ &#251;'           > D0 7E 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000227FB140C30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000227FB146D00, 16 bytes long.
 Data: <&#168;~ &#251;'           > A8 7E 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000227FB146EE0, 16 bytes long.
 Data: < ~ &#251;'           > 80 7E 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000227FB147750, 16 bytes long.
 Data: <X~ &#251;'           > 58 7E 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000227FB147700, 16 bytes long.
 Data: <0~ &#251;'           > 30 7E 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000227FB146400, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000227FB147250, 16 bytes long.
 Data: <&#216;  &#251;'           > D8 04 13 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000227FB140CF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000227FB146C10, 16 bytes long.
 Data: <&#176;  &#251;'           > B0 04 13 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000227FB1476B0, 16 bytes long.
 Data: <   &#251;'           > 88 04 13 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000227FB1473E0, 16 bytes long.
 Data: <`  &#251;'           > 60 04 13 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000227FB147A70, 16 bytes long.
 Data: <8  &#251;'           > 38 04 13 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000227FB147930, 16 bytes long.
 Data: <   &#251;'           > 10 04 13 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000227FB1470C0, 16 bytes long.
 Data: <&#232;  &#251;'           > E8 03 13 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000227FB140870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000227FB146D50, 16 bytes long.
 Data: <&#192;  &#251;'           > C0 03 13 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000227FB1303C0, 320 bytes long.
 Data: <Pm &#251;'   p  &#251;'   > 50 6D 14 FB 27 02 00 00 70 08 14 FB 27 02 00 00 
{278} normal block at 0x00000227FB147A20, 16 bytes long.
 Data: < ~ &#251;'           > 10 7E 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000227FB147570, 16 bytes long.
 Data: <&#232;} &#251;'           > E8 7D 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000227FB1414D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000227FB147070, 16 bytes long.
 Data: <&#192;} &#251;'           > C0 7D 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000227FB1410B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000227FB1472F0, 16 bytes long.
 Data: < } &#251;'           > 08 7D 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000227FB1479D0, 16 bytes long.
 Data: <&#224;| &#251;'           > E0 7C 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000227FB146F30, 16 bytes long.
 Data: <&#184;| &#251;'           > B8 7C 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000227FB1477F0, 16 bytes long.
 Data: < | &#251;'           > 90 7C 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000227FB146FD0, 16 bytes long.
 Data: <h| &#251;'           > 68 7C 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000227FB147840, 16 bytes long.
 Data: <@| &#251;'           > 40 7C 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000227FB147110, 16 bytes long.
 Data: <&#192;e &#251;'           > C0 65 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000227FB1465C0, 40 bytes long.
 Data: < q &#251;'     &#228;&#252;'   > 10 71 14 FB 27 02 00 00 10 80 E4 FC 27 02 00 00 
{264} normal block at 0x00000227FB146F80, 16 bytes long.
 Data: < | &#251;'           > 20 7C 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000227FB147020, 16 bytes long.
 Data: <&#248;{ &#251;'           > F8 7B 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000227FB141170, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000227FB147B60, 16 bytes long.
 Data: <&#208;{ &#251;'           > D0 7B 14 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000227FB147BD0, 992 bytes long.
 Data: <`{ &#251;'   p  &#251;'   > 60 7B 14 FB 27 02 00 00 70 11 14 FB 27 02 00 00 
{96} normal block at 0x00000227FB141050, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000227FB13F470, 16 bytes long.
 Data: <&#160;  &#251;'           > A0 0D 13 FB 27 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000227FB130DA0, 40 bytes long.
 Data: <p&#244; &#251;'   P  &#251;'   > 70 F4 13 FB 27 02 00 00 50 10 14 FB 27 02 00 00 
{73} normal block at 0x00000227FB13F600, 16 bytes long.
 Data: < &#234;&#245;7&#246;           > 80 EA F5 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000227FB13EE80, 16 bytes long.
 Data: <@&#233;&#245;7&#246;           > 40 E9 F5 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000227FB13FA60, 16 bytes long.
 Data: <&#248;W&#242;7&#246;           > F8 57 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000227FB13ED90, 16 bytes long.
 Data: <&#216;W&#242;7&#246;           > D8 57 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000227FB13FA10, 16 bytes long.
 Data: <P &#242;7&#246;           > 50 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000227FB13F380, 16 bytes long.
 Data: <0 &#242;7&#246;           > 30 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000227FB13F150, 16 bytes long.
 Data: <&#224; &#242;7&#246;           > E0 02 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000227FB13ED40, 16 bytes long.
 Data: <  &#242;7&#246;           > 10 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000227FB13ECA0, 16 bytes long.
 Data: <p &#242;7&#246;           > 70 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000227FB13F4C0, 16 bytes long.
 Data: < &#192;&#240;7&#246;           > 18 C0 F0 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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