Task 38681447

Name test_251-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8186_0
Workunit 31623112
Created 27 Oct 2026, 4:02:00 UTC
Sent 27 Oct 2026, 4:02:02 UTC
Report deadline 1 Nov 2026, 4:02:02 UTC
Received 27 Oct 2026, 4:39:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651312
Run time 18 min 12 sec
CPU time 17 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.91 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:20:53 (43708): wrapper (7.9.26016): starting
23:20:53 (43708): 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
23:20:54 (43708): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:20:54 (43708): 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\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 'C:\ProgramData\BOINC\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
23:38:42 (43708): C:/Windows/system32/cmd.exe exited; CPU time 1037.218750
23:38:42 (43708): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 22932713 bytes.
Dumping objects ->
{3835289} normal block at 0x0000017AD91966B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x0000017AD9196640, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000017AD9196950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x0000017AD91969C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000017AD9196BF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x0000017ADAF78970, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000017AD91EEE70, 135 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 0x0000017AD9190510, 8 bytes long.
 Data: <  &#208;&#218;z   > 00 00 D0 DA 7A 01 00 00 
{3834577} normal block at 0x0000017AD91EF690, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000017AD918FBB0, 8 bytes long.
 Data: <&#208;d&#253;&#218;z   > D0 64 FD DA 7A 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000017AD9191110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017AD9185ED0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000017AD9197CF0, 16 bytes long.
 Data: <&#248;q &#217;z           > F8 71 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017AD9197CA0, 16 bytes long.
 Data: <&#208;q &#217;z           > D0 71 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017AD918F2D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000017AD9197520, 16 bytes long.
 Data: <&#168;q &#217;z           > A8 71 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017AD9197E80, 16 bytes long.
 Data: < q &#217;z           > 80 71 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017AD9198150, 16 bytes long.
 Data: <Xq &#217;z           > 58 71 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017AD91974D0, 16 bytes long.
 Data: <0q &#217;z           > 30 71 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017AD9196B80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000017AD9197660, 16 bytes long.
 Data: <   &#217;z           > 98 8F 18 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017AD918EA30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000017AD9197840, 16 bytes long.
 Data: <p  &#217;z           > 70 8F 18 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017AD9197430, 16 bytes long.
 Data: <H  &#217;z           > 48 8F 18 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017AD9197B10, 16 bytes long.
 Data: <   &#217;z           > 20 8F 18 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017AD9197DE0, 16 bytes long.
 Data: <&#248;&#142; &#217;z           > F8 8E 18 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017AD9197340, 16 bytes long.
 Data: <&#208;&#142; &#217;z           > D0 8E 18 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017AD9197570, 16 bytes long.
 Data: <&#168;&#142; &#217;z           > A8 8E 18 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017AD918EC70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000017AD91981F0, 16 bytes long.
 Data: < &#142; &#217;z           > 80 8E 18 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017AD9188E80, 320 bytes long.
 Data: <&#240;  &#217;z   p&#236; &#217;z   > F0 81 19 D9 7A 01 00 00 70 EC 18 D9 7A 01 00 00 
{273} normal block at 0x0000017AD91977F0, 16 bytes long.
 Data: < q &#217;z           > 10 71 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017AD9197480, 16 bytes long.
 Data: <&#232;p &#217;z           > E8 70 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017AD918F210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000017AD9197E30, 16 bytes long.
 Data: <&#192;p &#217;z           > C0 70 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017AD918EC10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000017AD9197F70, 16 bytes long.
 Data: < p &#217;z           > 08 70 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017AD9198290, 16 bytes long.
 Data: <&#224;o &#217;z           > E0 6F 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017AD9197890, 16 bytes long.
 Data: <&#184;o &#217;z           > B8 6F 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017AD9197A20, 16 bytes long.
 Data: < o &#217;z           > 90 6F 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017AD918F6B0, 16 bytes long.
 Data: <ho &#217;z           > 68 6F 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017AD91904C0, 16 bytes long.
 Data: <@o &#217;z           > 40 6F 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017AD91903D0, 16 bytes long.
 Data: <&#160;j &#217;z           > A0 6A 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017AD9196AA0, 40 bytes long.
 Data: <&#208;  &#217;z   p&#137;&#247;&#218;z   > D0 03 19 D9 7A 01 00 00 70 89 F7 DA 7A 01 00 00 
{259} normal block at 0x0000017AD9190100, 16 bytes long.
 Data: < o &#217;z           > 20 6F 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017AD9190240, 16 bytes long.
 Data: <&#248;n &#217;z           > F8 6E 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017AD918E7F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000017AD918FFC0, 16 bytes long.
 Data: <&#208;n &#217;z           > D0 6E 19 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017AD9196ED0, 992 bytes long.
 Data: <&#192;&#255; &#217;z   &#240;&#231; &#217;z   > C0 FF 18 D9 7A 01 00 00 F0 E7 18 D9 7A 01 00 00 
{91} normal block at 0x0000017AD918F150, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000017AD918FA70, 16 bytes long.
 Data: <p&#238; &#217;z           > 70 EE 17 D9 7A 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000017AD917EE70, 40 bytes long.
 Data: <p&#250; &#217;z   P&#241; &#217;z   > 70 FA 18 D9 7A 01 00 00 50 F1 18 D9 7A 01 00 00 
{68} normal block at 0x0000017AD918FCF0, 16 bytes long.
 Data: < &#234;&#140; &#247;           > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017AD918F890, 16 bytes long.
 Data: <@&#233;&#140; &#247;           > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017AD918F8E0, 16 bytes long.
 Data: <&#248;W&#137; &#247;           > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017AD918FB10, 16 bytes long.
 Data: <&#216;W&#137; &#247;           > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017AD9190150, 16 bytes long.
 Data: <P &#137; &#247;           > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017AD918F930, 16 bytes long.
 Data: <0 &#137; &#247;           > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017AD918F7F0, 16 bytes long.
 Data: <&#224; &#137; &#247;           > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017AD918FC50, 16 bytes long.
 Data: <  &#137; &#247;           > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017AD918FD40, 16 bytes long.
 Data: <p &#137; &#247;           > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017AD918FC00, 16 bytes long.
 Data: < &#192;&#135; &#247;           > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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