Task 38654305

Name test_465-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND8796_0
Workunit 31598136
Created 24 Oct 2026, 7:04:45 UTC
Sent 24 Oct 2026, 7:04:50 UTC
Report deadline 29 Oct 2026, 7:04:50 UTC
Received 24 Oct 2026, 10:12:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 635377
Run time 1 hours 5 min 44 sec
CPU time 1 hours 3 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.07 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:06:49 (21528): wrapper (7.9.26016): starting
11:06:49 (21528): 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
11:06:50 (21528): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:06:50 (21528): 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\9\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\9\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
12:11:50 (21528): C:/Windows/system32/cmd.exe exited; CPU time 3829.921875
12:11:50 (21528): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 62220791 bytes.
Dumping objects ->
{3836924} normal block at 0x000001BB713E4C90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836913} normal block at 0x000001BB713E54E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836902} normal block at 0x000001BB713E5940, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3836891} normal block at 0x000001BB713E58D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836880} normal block at 0x000001BB6F755FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3836849} normal block at 0x000001BB71388D10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836838} normal block at 0x000001BB6F74C530, 200 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) : {3836835} normal block at 0x000001BB6F74E1E0, 8 bytes long.
 Data: <  &#177;o&#187;   > 00 00 B1 6F BB 01 00 00 
{3836031} normal block at 0x000001BB6F74C640, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3835253} normal block at 0x000001BB6F74E870, 8 bytes long.
 Data: <0&#235;&#130;o&#187;   > 30 EB 82 6F BB 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001BB6F752AE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001BB6F746F00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001BB6F757840, 16 bytes long.
 Data: <&#216;{uo&#187;           > D8 7B 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001BB6F7573E0, 16 bytes long.
 Data: <&#176;{uo&#187;           > B0 7B 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BB6F750290, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001BB6F756F30, 16 bytes long.
 Data: < {uo&#187;           > 88 7B 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BB6F756B20, 16 bytes long.
 Data: <`{uo&#187;           > 60 7B 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BB6F7577F0, 16 bytes long.
 Data: <8{uo&#187;           > 38 7B 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BB6F756EE0, 16 bytes long.
 Data: < {uo&#187;           > 10 7B 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BB6F756250, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001BB6F756F80, 16 bytes long.
 Data: <Xfuo&#187;           > 58 66 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BB6F74FE70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001BB6F7577A0, 16 bytes long.
 Data: <0fuo&#187;           > 30 66 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BB6F756E90, 16 bytes long.
 Data: < fuo&#187;           > 08 66 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BB6F757110, 16 bytes long.
 Data: <&#224;euo&#187;           > E0 65 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BB6F756BC0, 16 bytes long.
 Data: <&#184;euo&#187;           > B8 65 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BB6F756990, 16 bytes long.
 Data: < euo&#187;           > 90 65 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BB6F756940, 16 bytes long.
 Data: <heuo&#187;           > 68 65 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BB6F74FE10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001BB6F756FD0, 16 bytes long.
 Data: <@euo&#187;           > 40 65 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BB6F756540, 320 bytes long.
 Data: <&#208;ouo&#187;    &#254;to&#187;   > D0 6F 75 6F BB 01 00 00 10 FE 74 6F BB 01 00 00 
{279} normal block at 0x000001BB6F7572F0, 16 bytes long.
 Data: <&#240;zuo&#187;           > F0 7A 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BB6F757700, 16 bytes long.
 Data: <&#200;zuo&#187;           > C8 7A 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BB6F750350, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001BB6F757390, 16 bytes long.
 Data: <&#160;zuo&#187;           > A0 7A 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BB6F750230, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001BB6F7568F0, 16 bytes long.
 Data: <&#232;yuo&#187;           > E8 79 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BB6F757660, 16 bytes long.
 Data: <&#192;yuo&#187;           > C0 79 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BB6F7576B0, 16 bytes long.
 Data: < yuo&#187;           > 98 79 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BB6F757570, 16 bytes long.
 Data: <pyuo&#187;           > 70 79 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BB6F757610, 16 bytes long.
 Data: <Hyuo&#187;           > 48 79 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BB6F756D50, 16 bytes long.
 Data: < yuo&#187;           > 20 79 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BB6F757520, 16 bytes long.
 Data: <&#224;auo&#187;           > E0 61 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BB6F7561E0, 40 bytes long.
 Data: < uuo&#187;    &#141;8q&#187;   > 20 75 75 6F BB 01 00 00 10 8D 38 71 BB 01 00 00 
{265} normal block at 0x000001BB6F7575C0, 16 bytes long.
 Data: < yuo&#187;           > 00 79 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BB6F757250, 16 bytes long.
 Data: <&#216;xuo&#187;           > D8 78 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BB6F7505F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001BB6F756AD0, 16 bytes long.
 Data: <&#176;xuo&#187;           > B0 78 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BB6F7578B0, 992 bytes long.
 Data: <&#208;juo&#187;   &#240; uo&#187;   > D0 6A 75 6F BB 01 00 00 F0 05 75 6F BB 01 00 00 
{97} normal block at 0x000001BB6F750110, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001BB6F74E5F0, 16 bytes long.
 Data: < ]uo&#187;           > 80 5D 75 6F BB 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001BB6F755D80, 40 bytes long.
 Data: <&#240;&#229;to&#187;     uo&#187;   > F0 E5 74 6F BB 01 00 00 10 01 75 6F BB 01 00 00 
{74} normal block at 0x000001BB6F74EC80, 16 bytes long.
 Data: < &#234;&#149; &#247;           > 80 EA 95 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001BB6F74EB40, 16 bytes long.
 Data: <@&#233;&#149; &#247;           > 40 E9 95 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001BB6F74EAF0, 16 bytes long.
 Data: <&#248;W&#146; &#247;           > F8 57 92 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001BB6F74EDC0, 16 bytes long.
 Data: <&#216;W&#146; &#247;           > D8 57 92 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BB6F74EC30, 16 bytes long.
 Data: <P &#146; &#247;           > 50 04 92 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BB6F74E7D0, 16 bytes long.
 Data: <0 &#146; &#247;           > 30 04 92 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BB6F74E410, 16 bytes long.
 Data: <&#224; &#146; &#247;           > E0 02 92 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BB6F74EF00, 16 bytes long.
 Data: <  &#146; &#247;           > 10 04 92 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BB6F74E050, 16 bytes long.
 Data: <p &#146; &#247;           > 70 04 92 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BB6F74E550, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 90 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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