Task 38684107

Name test_697-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2065_0
Workunit 31625631
Created 27 Oct 2026, 14:44:17 UTC
Sent 27 Oct 2026, 14:44:29 UTC
Report deadline 1 Nov 2026, 14:44:29 UTC
Received 27 Oct 2026, 16:05:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623758
Run time 44 min 3 sec
CPU time 33 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.33 MB
Peak swap size 6.91 GB
Peak disk usage 4.19 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:23:25 (7392): wrapper (7.9.26016): starting
10:23:25 (7392): 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
10:23:28 (7392): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:23:28 (7392): 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
11:05:34 (7392): C:/Windows/system32/cmd.exe exited; CPU time 2032.921875
11:05:34 (7392): 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: 34552153 bytes.
Dumping objects ->
{3835234} normal block at 0x00000194D8E9DC70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x00000194D7255F80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000194D7255FF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x00000194D7255E30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x00000194D7255DC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x00000194D8EE9D70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x00000194D8EFFEC0, 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) : {3835145} normal block at 0x00000194D72504F0, 8 bytes long.
 Data: <  &#131;&#215;&#148;   > 00 00 83 D7 94 01 00 00 
{3834542} normal block at 0x00000194D8EFF5D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000194D724FA00, 8 bytes long.
 Data: <&#160;7&#247;&#216;&#148;   > A0 37 F7 D8 94 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000194D7251E80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000194D7247200, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000194D7256670, 16 bytes long.
 Data: <Xt%&#215;&#148;           > 58 74 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000194D7256620, 16 bytes long.
 Data: <0t%&#215;&#148;           > 30 74 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000194D72509D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000194D72564E0, 16 bytes long.
 Data: < t%&#215;&#148;           > 08 74 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000194D7256990, 16 bytes long.
 Data: <&#224;s%&#215;&#148;           > E0 73 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000194D72563A0, 16 bytes long.
 Data: <&#184;s%&#215;&#148;           > B8 73 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000194D7256580, 16 bytes long.
 Data: < s%&#215;&#148;           > 90 73 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000194D7255AB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000194D7256350, 16 bytes long.
 Data: <&#168;&#244;$&#215;&#148;           > A8 F4 24 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000194D7250DF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000194D7256800, 16 bytes long.
 Data: < &#244;$&#215;&#148;           > 80 F4 24 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000194D72561C0, 16 bytes long.
 Data: <X&#244;$&#215;&#148;           > 58 F4 24 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000194D72563F0, 16 bytes long.
 Data: <0&#244;$&#215;&#148;           > 30 F4 24 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000194D7256170, 16 bytes long.
 Data: < &#244;$&#215;&#148;           > 08 F4 24 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000194D7256710, 16 bytes long.
 Data: <&#224;&#243;$&#215;&#148;           > E0 F3 24 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000194D72565D0, 16 bytes long.
 Data: <&#184;&#243;$&#215;&#148;           > B8 F3 24 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000194D7250D90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000194D7256F30, 16 bytes long.
 Data: < &#243;$&#215;&#148;           > 90 F3 24 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000194D724F390, 320 bytes long.
 Data: <0o%&#215;&#148;     %&#215;&#148;   > 30 6F 25 D7 94 01 00 00 90 0D 25 D7 94 01 00 00 
{276} normal block at 0x00000194D72568F0, 16 bytes long.
 Data: <ps%&#215;&#148;           > 70 73 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000194D7256760, 16 bytes long.
 Data: <Hs%&#215;&#148;           > 48 73 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000194D7251330, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000194D7256530, 16 bytes long.
 Data: < s%&#215;&#148;           > 20 73 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000194D7250790, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000194D7256E90, 16 bytes long.
 Data: <hr%&#215;&#148;           > 68 72 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000194D7257070, 16 bytes long.
 Data: <@r%&#215;&#148;           > 40 72 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000194D7256DA0, 16 bytes long.
 Data: < r%&#215;&#148;           > 18 72 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000194D7256D50, 16 bytes long.
 Data: <&#240;q%&#215;&#148;           > F0 71 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000194D72562B0, 16 bytes long.
 Data: <&#200;q%&#215;&#148;           > C8 71 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000194D7256BC0, 16 bytes long.
 Data: <&#160;q%&#215;&#148;           > A0 71 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000194D72570C0, 16 bytes long.
 Data: <@Z%&#215;&#148;           > 40 5A 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000194D7255A40, 40 bytes long.
 Data: <&#192;p%&#215;&#148;   p &#238;&#216;&#148;   > C0 70 25 D7 94 01 00 00 70 9D EE D8 94 01 00 00 
{262} normal block at 0x00000194D72567B0, 16 bytes long.
 Data: < q%&#215;&#148;           > 80 71 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000194D7256260, 16 bytes long.
 Data: <Xq%&#215;&#148;           > 58 71 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000194D7251390, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000194D7256D00, 16 bytes long.
 Data: <0q%&#215;&#148;           > 30 71 25 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000194D7257130, 992 bytes long.
 Data: < m%&#215;&#148;     %&#215;&#148;   > 00 6D 25 D7 94 01 00 00 90 13 25 D7 94 01 00 00 
{94} normal block at 0x00000194D7250B50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000194D724F8C0, 16 bytes long.
 Data: <&#192;&#229;#&#215;&#148;           > C0 E5 23 D7 94 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000194D723E5C0, 40 bytes long.
 Data: <&#192;&#248;$&#215;&#148;   P %&#215;&#148;   > C0 F8 24 D7 94 01 00 00 50 0B 25 D7 94 01 00 00 
{71} normal block at 0x00000194D724FC30, 16 bytes long.
 Data: < &#234;} &#247;           > 80 EA 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000194D724F7D0, 16 bytes long.
 Data: <@&#233;} &#247;           > 40 E9 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000194D72500E0, 16 bytes long.
 Data: <&#248;Wz &#247;           > F8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000194D724FDC0, 16 bytes long.
 Data: <&#216;Wz &#247;           > D8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000194D72504A0, 16 bytes long.
 Data: <P z &#247;           > 50 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000194D724F5A0, 16 bytes long.
 Data: <0 z &#247;           > 30 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000194D7250220, 16 bytes long.
 Data: <&#224; z &#247;           > E0 02 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000194D7250130, 16 bytes long.
 Data: <  z &#247;           > 10 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000194D724FC80, 16 bytes long.
 Data: <p z &#247;           > 70 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000194D724F9B0, 16 bytes long.
 Data: < &#192;x &#247;           > 18 C0 78 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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