Task 38681063

Name test_348-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2759_0
Workunit 31622752
Created 27 Oct 2026, 2:28:44 UTC
Sent 27 Oct 2026, 2:28:49 UTC
Report deadline 1 Nov 2026, 2:28:49 UTC
Received 27 Oct 2026, 3:25:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610949
Run time 27 min 55 sec
CPU time 26 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.12 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:57:20 (47444): wrapper (7.9.26016): starting
11:57:20 (47444): 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
11:57:21 (47444): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:57:21 (47444): 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\1\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\1\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
12:24:39 (47444): C:/Windows/system32/cmd.exe exited; CPU time 1568.531250
12:24:39 (47444): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 37774669 bytes.
Dumping objects ->
{3835380} normal block at 0x00000177647BDDD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x00000177647BD270, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x00000177647BDF20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x00000177647BD740, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x00000177647BDF90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x00000177681ADB70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835292} normal block at 0x00000177647BCA80, 8 bytes long.
 Data: <  7fw   > 00 00 37 66 77 01 00 00 
{3834077} normal block at 0x00000177647BCFD0, 8 bytes long.
 Data: <   hw   > 10 E4 20 68 77 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000177647AFCE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000177647A8050, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000177647BCA30, 16 bytes long.
 Data: < &#193;{dw           > 18 C1 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000177647BC580, 16 bytes long.
 Data: < &#192;{dw           > F0 C0 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000177647B49E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000177647BCE90, 16 bytes long.
 Data: <&#200;&#192;{dw           > C8 C0 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000177647BCB70, 16 bytes long.
 Data: < &#192;{dw           > A0 C0 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000177647B89D0, 16 bytes long.
 Data: <x&#192;{dw           > 78 C0 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000177647B8980, 16 bytes long.
 Data: <P&#192;{dw           > 50 C0 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000177647B6CA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000177647B8890, 16 bytes long.
 Data: <(&#187;{dw           > 28 BB 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000177647B43E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000177647B85C0, 16 bytes long.
 Data: < &#187;{dw           > 00 BB 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000177647B8200, 16 bytes long.
 Data: <&#216;&#186;{dw           > D8 BA 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000177647B80C0, 16 bytes long.
 Data: <&#176;&#186;{dw           > B0 BA 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000177647B8840, 16 bytes long.
 Data: < &#186;{dw           > 88 BA 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000177647B8ED0, 16 bytes long.
 Data: <`&#186;{dw           > 60 BA 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000177647B8070, 16 bytes long.
 Data: <8&#186;{dw           > 38 BA 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000177647B4AA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000177647B87F0, 16 bytes long.
 Data: < &#186;{dw           > 10 BA 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000177647BBA10, 320 bytes long.
 Data: <  {dw    J{dw   > F0 87 7B 64 77 01 00 00 A0 4A 7B 64 77 01 00 00 
{281} normal block at 0x00000177647B8C00, 16 bytes long.
 Data: <0&#192;{dw           > 30 C0 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000177647B8020, 16 bytes long.
 Data: < &#192;{dw           > 08 C0 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000177647B4F80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000177647B8570, 16 bytes long.
 Data: < &#191;{dw           > E0 BF 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000177647B4560, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000177647B86B0, 16 bytes long.
 Data: <(&#191;{dw           > 28 BF 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000177647B87A0, 16 bytes long.
 Data: < &#191;{dw           > 00 BF 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000177647B83E0, 16 bytes long.
 Data: <&#216;&#190;{dw           > D8 BE 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000177647B8340, 16 bytes long.
 Data: <&#176;&#190;{dw           > B0 BE 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000177647B8E80, 16 bytes long.
 Data: < &#190;{dw           > 88 BE 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000177647B82F0, 16 bytes long.
 Data: <`&#190;{dw           > 60 BE 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000177647B8750, 16 bytes long.
 Data: <`n{dw           > 60 6E 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000177647B6E60, 40 bytes long.
 Data: <P {dw   p&#219; hw   > 50 87 7B 64 77 01 00 00 70 DB 1A 68 77 01 00 00 
{267} normal block at 0x00000177647B8160, 16 bytes long.
 Data: <@&#190;{dw           > 40 BE 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000177647B8E30, 16 bytes long.
 Data: < &#190;{dw           > 18 BE 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000177647B4F20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000177647B82A0, 16 bytes long.
 Data: < &#189;{dw           > F0 BD 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000177647BBDF0, 992 bytes long.
 Data: <  {dw    O{dw   > A0 82 7B 64 77 01 00 00 20 4F 7B 64 77 01 00 00 
{99} normal block at 0x00000177647B44A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000177647B8D40, 16 bytes long.
 Data: <@h{dw           > 40 68 7B 64 77 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000177647B6840, 40 bytes long.
 Data: <@ {dw    D{dw   > 40 8D 7B 64 77 01 00 00 A0 44 7B 64 77 01 00 00 
{74} normal block at 0x00000177647B8CA0, 16 bytes long.
 Data: <   m            > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000177647B8390, 16 bytes long.
 Data: <@  m            > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000177647B8A70, 16 bytes long.
 Data: < W m            > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000177647B8A20, 16 bytes long.
 Data: <&#216;W m            > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000177647B8C50, 16 bytes long.
 Data: <P  m            > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000177647B8520, 16 bytes long.
 Data: <0  m            > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000177647AC270, 16 bytes long.
 Data: <   m            > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000177647AC220, 16 bytes long.
 Data: <   m            > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000177647AC130, 16 bytes long.
 Data: <p  m            > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000177647AC090, 16 bytes long.
 Data: < &#192; m            > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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