Task 38661177

Name test_926-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND8590_0
Workunit 31604614
Created 24 Oct 2026, 15:20:16 UTC
Sent 24 Oct 2026, 16:34:15 UTC
Report deadline 29 Oct 2026, 16:34:15 UTC
Received 24 Oct 2026, 19:45:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630147
Run time 1 hours 12 min 5 sec
CPU time 1 hours 8 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.04 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:39:48 (13844): wrapper (7.9.26016): starting
01:39:48 (13844): 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
01:39:49 (13844): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:39:49 (13844): 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\11\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\11\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
02:51:07 (13844): C:/Windows/system32/cmd.exe exited; CPU time 4137.484375
02:51:07 (13844): 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: 65301407 bytes.
Dumping objects ->
{3835659} normal block at 0x0000023BC6E3F490, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835648} normal block at 0x0000023BC6E3F340, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835637} normal block at 0x0000023BC4EC6B80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835626} normal block at 0x0000023BC4EC6B10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835615} normal block at 0x0000023BC4EC6AA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835584} normal block at 0x0000023BC6E89D90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835573} normal block at 0x0000023BC6E9FB90, 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) : {3835570} normal block at 0x0000023BC4EBEEF0, 8 bytes long.
 Data: <  ,&#197;;   > 00 00 2C C5 3B 02 00 00 
{3834789} normal block at 0x0000023BC6E9FF00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x0000023BC4EBF300, 8 bytes long.
 Data: <   &#196;;   > 80 EB F9 C4 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000023BC4EC0C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023BC4EB6760, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000023BC4EC74E0, 16 bytes long.
 Data: <   &#196;;           > F8 84 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023BC4EC7F30, 16 bytes long.
 Data: <&#208;  &#196;;           > D0 84 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023BC4EBFB40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000023BC4EC8020, 16 bytes long.
 Data: <&#168;  &#196;;           > A8 84 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023BC4EC7EE0, 16 bytes long.
 Data: <   &#196;;           > 80 84 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023BC4EC7C10, 16 bytes long.
 Data: <X  &#196;;           > 58 84 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023BC4EC7490, 16 bytes long.
 Data: <0  &#196;;           > 30 84 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023BC4EC6C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000023BC4EC7B70, 16 bytes long.
 Data: <&#216;&#181; &#196;;           > D8 B5 EA C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023BC4EBF900, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000023BC4EC7300, 16 bytes long.
 Data: <&#176;&#181; &#196;;           > B0 B5 EA C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023BC4EC73A0, 16 bytes long.
 Data: < &#181; &#196;;           > 88 B5 EA C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023BC4EC7850, 16 bytes long.
 Data: <`&#181; &#196;;           > 60 B5 EA C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023BC4EC7AD0, 16 bytes long.
 Data: <8&#181; &#196;;           > 38 B5 EA C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023BC4EC7710, 16 bytes long.
 Data: < &#181; &#196;;           > 10 B5 EA C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023BC4EC8110, 16 bytes long.
 Data: < &#180; &#196;;           > E8 B4 EA C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023BC4EC02C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000023BC4EC7BC0, 16 bytes long.
 Data: <&#192;&#180; &#196;;           > C0 B4 EA C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023BC4EAB4C0, 320 bytes long.
 Data: <&#192;{ &#196;;   &#192;  &#196;;   > C0 7B EC C4 3B 02 00 00 C0 02 EC C4 3B 02 00 00 
{277} normal block at 0x0000023BC4EC7260, 16 bytes long.
 Data: <   &#196;;           > 10 84 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023BC4EC7C60, 16 bytes long.
 Data: <   &#196;;           > E8 83 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023BC4EBFA80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000023BC4EC7DA0, 16 bytes long.
 Data: <&#192;  &#196;;           > C0 83 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023BC4EC0200, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000023BC4EC7990, 16 bytes long.
 Data: <   &#196;;           > 08 83 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023BC4EC8160, 16 bytes long.
 Data: <   &#196;;           > E0 82 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023BC4EC7E40, 16 bytes long.
 Data: <&#184;  &#196;;           > B8 82 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023BC4EC7940, 16 bytes long.
 Data: <   &#196;;           > 90 82 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023BC4EC7350, 16 bytes long.
 Data: <h  &#196;;           > 68 82 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023BC4EC7210, 16 bytes long.
 Data: <@  &#196;;           > 40 82 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023BC4EC72B0, 16 bytes long.
 Data: <&#192;i &#196;;           > C0 69 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023BC4EC69C0, 40 bytes long.
 Data: <&#176;r &#196;;      &#198;;   > B0 72 EC C4 3B 02 00 00 90 9D E8 C6 3B 02 00 00 
{263} normal block at 0x0000023BC4EC79E0, 16 bytes long.
 Data: <   &#196;;           > 20 82 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023BC4EC7620, 16 bytes long.
 Data: <   &#196;;           > F8 81 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023BC4EC0560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000023BC4EC7440, 16 bytes long.
 Data: <&#208;  &#196;;           > D0 81 EC C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023BC4EC81D0, 992 bytes long.
 Data: <@t &#196;;   `  &#196;;   > 40 74 EC C4 3B 02 00 00 60 05 EC C4 3B 02 00 00 
{95} normal block at 0x0000023BC4EBF8A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000023BC4EBF1C0, 16 bytes long.
 Data: <   &#196;;           > 10 EF EA C4 3B 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000023BC4EAEF10, 40 bytes long.
 Data: <&#192;  &#196;;      &#196;;   > C0 F1 EB C4 3B 02 00 00 A0 F8 EB C4 3B 02 00 00 
{70} normal block at 0x0000023BC4EBF3F0, 16 bytes long.
 Data: <  yb            > 80 EA 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023BC4EBEDB0, 16 bytes long.
 Data: <@ yb            > 40 E9 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023BC4EBE7C0, 16 bytes long.
 Data: < Wvb            > F8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023BC4EBF030, 16 bytes long.
 Data: <&#216;Wvb            > D8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023BC4EBEA40, 16 bytes long.
 Data: <P vb            > 50 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023BC4EBEFE0, 16 bytes long.
 Data: <0 vb            > 30 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023BC4EBEF90, 16 bytes long.
 Data: <  vb            > E0 02 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023BC4EBED60, 16 bytes long.
 Data: <  vb            > 10 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023BC4EBF3A0, 16 bytes long.
 Data: <p vb            > 70 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023BC4EBF440, 16 bytes long.
 Data: < &#192;tb            > 18 C0 74 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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