Task 38677460

Name test_881-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND0003_0
Workunit 31619330
Created 26 Oct 2026, 14:25:44 UTC
Sent 26 Oct 2026, 14:25:50 UTC
Report deadline 31 Oct 2026, 14:25:50 UTC
Received 26 Oct 2026, 15:18:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654846
Run time 49 min
CPU time 42 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 644.38 MB
Peak swap size 3.08 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:28:52 (8936): wrapper (7.9.26016): starting
16:28:52 (8936): 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
16:28:55 (8936): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:28:55 (8936): 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 'D:\ProgramData\BOINC\slots\2\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 'D:\ProgramData\BOINC\slots\2\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
17:16:29 (8936): C:/Windows/system32/cmd.exe exited; CPU time 2568.187500
17:16:29 (8936): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 32524375 bytes.
Dumping objects ->
{3835253} normal block at 0x0000018C6343ADC0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000018C6343AF80, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000018C6343AD50, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000018C6196C4A0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000018C6196C0B0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x0000018C63482E20, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x0000018C63511750, 160 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) : {3835164} normal block at 0x0000018C61967BC0, 8 bytes long.
 Data: <  &#148;a&#140;   > 00 00 94 61 8C 01 00 00 
{3834552} normal block at 0x0000018C635119F0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x0000018C619678A0, 8 bytes long.
 Data: <0+Qc&#140;   > 30 2B 51 63 8C 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000018C619710B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018C6195A980, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x0000018C61972D20, 16 bytes long.
 Data: <&#248;F&#151;a&#140;           > F8 46 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018C61972A00, 16 bytes long.
 Data: <&#208;F&#151;a&#140;           > D0 46 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018C6196E610, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x0000018C61972960, 16 bytes long.
 Data: <&#168;F&#151;a&#140;           > A8 46 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018C619725A0, 16 bytes long.
 Data: < F&#151;a&#140;           > 80 46 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018C619728C0, 16 bytes long.
 Data: <XF&#151;a&#140;           > 58 46 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018C61972EB0, 16 bytes long.
 Data: <0F&#151;a&#140;           > 30 46 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018C6196C510, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x0000018C61972500, 16 bytes long.
 Data: <&#184;\&#149;a&#140;           > B8 5C 95 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018C6196E3D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x0000018C619725F0, 16 bytes long.
 Data: < \&#149;a&#140;           > 90 5C 95 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018C61972730, 16 bytes long.
 Data: <h\&#149;a&#140;           > 68 5C 95 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018C619720F0, 16 bytes long.
 Data: <@\&#149;a&#140;           > 40 5C 95 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018C61972910, 16 bytes long.
 Data: < \&#149;a&#140;           > 18 5C 95 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018C61972410, 16 bytes long.
 Data: <&#240;[&#149;a&#140;           > F0 5B 95 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018C619723C0, 16 bytes long.
 Data: <&#200;[&#149;a&#140;           > C8 5B 95 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018C6196D770, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{269} normal block at 0x0000018C61972870, 16 bytes long.
 Data: <&#160;[&#149;a&#140;           > A0 5B 95 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018C61955BA0, 320 bytes long.
 Data: <p(&#151;a&#140;   p&#215;&#150;a&#140;   > 70 28 97 61 8C 01 00 00 70 D7 96 61 8C 01 00 00 
{267} normal block at 0x0000018C61972690, 16 bytes long.
 Data: < F&#151;a&#140;           > 10 46 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018C61972000, 16 bytes long.
 Data: <&#232;E&#151;a&#140;           > E8 45 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018C6196D710, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x0000018C61972320, 16 bytes long.
 Data: <&#192;E&#151;a&#140;           > C0 45 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018C6196E5B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x0000018C61972820, 16 bytes long.
 Data: < E&#151;a&#140;           > 08 45 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018C61972780, 16 bytes long.
 Data: <&#224;D&#151;a&#140;           > E0 44 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018C61972370, 16 bytes long.
 Data: <&#184;D&#151;a&#140;           > B8 44 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018C61972C30, 16 bytes long.
 Data: < D&#151;a&#140;           > 90 44 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018C619720A0, 16 bytes long.
 Data: <hD&#151;a&#140;           > 68 44 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018C61972550, 16 bytes long.
 Data: <@D&#151;a&#140;           > 40 44 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000018C61972F50, 16 bytes long.
 Data: <@&#192;&#150;a&#140;           > 40 C0 96 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000018C6196C040, 40 bytes long.
 Data: <P/&#151;a&#140;    .Hc&#140;   > 50 2F 97 61 8C 01 00 00 20 2E 48 63 8C 01 00 00 
{253} normal block at 0x0000018C61972E60, 16 bytes long.
 Data: < D&#151;a&#140;           > 20 44 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000018C61972230, 16 bytes long.
 Data: <&#248;C&#151;a&#140;           > F8 43 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000018C6196D950, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x0000018C61972BE0, 16 bytes long.
 Data: <&#208;C&#151;a&#140;           > D0 43 97 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000018C619743D0, 992 bytes long.
 Data: <&#224;+&#151;a&#140;   P&#217;&#150;a&#140;   > E0 2B 97 61 8C 01 00 00 50 D9 96 61 8C 01 00 00 
{85} normal block at 0x0000018C6196DD70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x0000018C61967850, 16 bytes long.
 Data: < &#197;&#150;a&#140;           > 80 C5 96 61 8C 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000018C6196C580, 40 bytes long.
 Data: <Px&#150;a&#140;   p&#221;&#150;a&#140;   > 50 78 96 61 8C 01 00 00 70 DD 96 61 8C 01 00 00 
{62} normal block at 0x0000018C61967F80, 16 bytes long.
 Data: < &#234; &#237;&#247;           > 80 EA 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018C619673F0, 16 bytes long.
 Data: <@&#233; &#237;&#247;           > 40 E9 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018C61967B70, 16 bytes long.
 Data: <&#248;W&#254;&#236;&#247;           > F8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018C61967940, 16 bytes long.
 Data: <&#216;W&#254;&#236;&#247;           > D8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000018C61967C10, 16 bytes long.
 Data: <P &#254;&#236;&#247;           > 50 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000018C619681B0, 16 bytes long.
 Data: <0 &#254;&#236;&#247;           > 30 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000018C61967B20, 16 bytes long.
 Data: <&#224; &#254;&#236;&#247;           > E0 02 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000018C61967350, 16 bytes long.
 Data: <  &#254;&#236;&#247;           > 10 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000018C619678F0, 16 bytes long.
 Data: <p &#254;&#236;&#247;           > 70 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000018C619674E0, 16 bytes long.
 Data: < &#192;&#252;&#236;&#247;           > 18 C0 FC EC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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