Task 38653082

Name	test_930-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND8002_2
Workunit	31592792
Created	24 Oct 2026, 5:00:38 UTC
Sent	24 Oct 2026, 5:43:36 UTC
Report deadline	29 Oct 2026, 5:43:36 UTC
Received	24 Oct 2026, 7:38:19 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	590887
Run time	1 hours 54 min 43 sec
CPU time	2 hours 15 min 3 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	11,977.76 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	672.80 MB
Peak swap size	5.29 GB
Peak disk usage	2.97 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:02:20 (6824): wrapper (7.9.26016): starting
02:02:20 (6824): 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
02:02:22 (6824): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:02:22 (6824): 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 'E:\ProgramData\BOINC\slots\3\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 'E:\ProgramData\BOINC\slots\3\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
02:37:49 (6824): C:/Windows/system32/cmd.exe exited; CPU time 8103.078125
02:37:49 (6824): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 35629081 bytes.
Dumping objects ->
{3835286} normal block at 0x000002301F02EAC0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000002301F02E350, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x000002301F02E9E0, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835253} normal block at 0x000002301D445D10, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000002301D445A00, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835211} normal block at 0x000002301F07CD90, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x000002301D4AB5F0, 141 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) : {3835197} normal block at 0x000002301D43DCC0, 8 bytes long.
 Data: <  = 0   > 00 00 3D 1D 30 02 00 00 
{3834570} normal block at 0x000002301D4AB790, 141 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 0x000002301D43DF40, 8 bytes long.
 Data: <@&#234;Q 0   > 40 EA 51 1D 30 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002301D4422D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002301D436AB0, 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 0x000002301D446F50, 16 bytes long.
 Data: < wD 0           > 98 77 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002301D446E10, 16 bytes long.
 Data: <pwD 0           > 70 77 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002301D440CC0, 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 0x000002301D446B40, 16 bytes long.
 Data: <HwD 0           > 48 77 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002301D447090, 16 bytes long.
 Data: < wD 0           > 20 77 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002301D446960, 16 bytes long.
 Data: <&#248;vD 0           > F8 76 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002301D4472C0, 16 bytes long.
 Data: <&#208;vD 0           > D0 76 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002301D445AE0, 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 0x000002301D4467D0, 16 bytes long.
 Data: <(&#255;C 0           > 28 FF 43 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002301D440900, 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 0x000002301D4465A0, 16 bytes long.
 Data: < &#255;C 0           > 00 FF 43 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002301D447400, 16 bytes long.
 Data: <&#216;&#254;C 0           > D8 FE 43 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002301D446910, 16 bytes long.
 Data: <&#176;&#254;C 0           > B0 FE 43 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002301D446FF0, 16 bytes long.
 Data: < &#254;C 0           > 88 FE 43 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002301D446DC0, 16 bytes long.
 Data: <`&#254;C 0           > 60 FE 43 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002301D446D20, 16 bytes long.
 Data: <8&#254;C 0           > 38 FE 43 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002301D440180, 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 0x000002301D446550, 16 bytes long.
 Data: < &#254;C 0           > 10 FE 43 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002301D43FE10, 320 bytes long.
 Data: <PeD 0     D 0   > 50 65 44 1D 30 02 00 00 80 01 44 1D 30 02 00 00 
{276} normal block at 0x000002301D4464B0, 16 bytes long.
 Data: <&#176;vD 0           > B0 76 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002301D446A50, 16 bytes long.
 Data: < vD 0           > 88 76 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002301D440060, 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 0x000002301D446BE0, 16 bytes long.
 Data: <`vD 0           > 60 76 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002301D440660, 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 0x000002301D446AF0, 16 bytes long.
 Data: <&#168;uD 0           > A8 75 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002301D446A00, 16 bytes long.
 Data: < uD 0           > 80 75 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002301D446640, 16 bytes long.
 Data: <XuD 0           > 58 75 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002301D446C80, 16 bytes long.
 Data: <0uD 0           > 30 75 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002301D4470E0, 16 bytes long.
 Data: < uD 0           > 08 75 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002301D4473B0, 16 bytes long.
 Data: <&#224;tD 0           > E0 74 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002301D447130, 16 bytes long.
 Data: <&#192;[D 0           > C0 5B 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002301D445BC0, 40 bytes long.
 Data: <0qD 0    &#205;  0   > 30 71 44 1D 30 02 00 00 90 CD 07 1F 30 02 00 00 
{262} normal block at 0x000002301D446500, 16 bytes long.
 Data: <&#192;tD 0           > C0 74 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002301D447360, 16 bytes long.
 Data: < tD 0           > 98 74 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002301D4402A0, 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 0x000002301D446AA0, 16 bytes long.
 Data: <ptD 0           > 70 74 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002301D447470, 992 bytes long.
 Data: <&#160;jD 0   &#160; D 0   > A0 6A 44 1D 30 02 00 00 A0 02 44 1D 30 02 00 00 
{94} normal block at 0x000002301D440780, 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 0x000002301D43DBD0, 16 bytes long.
 Data: <`WD 0           > 60 57 44 1D 30 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002301D445760, 40 bytes long.
 Data: <&#208;&#219;C 0     D 0   > D0 DB 43 1D 30 02 00 00 80 07 44 1D 30 02 00 00 
{71} normal block at 0x000002301D43DEF0, 16 bytes long.
 Data: < &#234;&#155;&#216;&#246;           > 80 EA 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002301D43DFE0, 16 bytes long.
 Data: <@&#233;&#155;&#216;&#246;           > 40 E9 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002301D43DD10, 16 bytes long.
 Data: <&#248;W &#216;&#246;           > F8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002301D43E1C0, 16 bytes long.
 Data: <&#216;W &#216;&#246;           > D8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002301D43EA80, 16 bytes long.
 Data: <P  &#216;&#246;           > 50 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002301D43DF90, 16 bytes long.
 Data: <0  &#216;&#246;           > 30 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002301D43E990, 16 bytes long.
 Data: <&#224;  &#216;&#246;           > E0 02 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002301D43EA30, 16 bytes long.
 Data: <   &#216;&#246;           > 10 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002301D43DC70, 16 bytes long.
 Data: <p  &#216;&#246;           > 70 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002301D43E710, 16 bytes long.
 Data: < &#192;&#150;&#216;&#246;           > 18 C0 96 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>