Task 38684347

Name test_654-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND4306_0
Workunit 31625862
Created 27 Oct 2026, 15:56:01 UTC
Sent 27 Oct 2026, 15:56:02 UTC
Report deadline 1 Nov 2026, 15:56:02 UTC
Received 27 Oct 2026, 16:54:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626568
Run time 23 min 18 sec
CPU time 22 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.00 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:31:15 (27348): wrapper (7.9.26016): starting
17:31:15 (27348): 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
17:31:16 (27348): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:31:16 (27348): 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\6\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\6\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
17:53:53 (27348): C:/Windows/system32/cmd.exe exited; CPU time 1360.671875
17:53:53 (27348): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23132831 bytes.
Dumping objects ->
{3835329} normal block at 0x0000026B89BF4680, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x0000026B89BF53A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x0000026B89BF4B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x0000026B89BF45A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x0000026B89BF4760, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x0000026B89B4D630, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000026B87DED980, 140 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) : {3835240} normal block at 0x0000026B87D8D690, 8 bytes long.
 Data: <  $ k   > 00 00 24 88 6B 02 00 00 
{3834594} normal block at 0x0000026B87DED090, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000026B87D8DF00, 8 bytes long.
 Data: <`@&#191;&#137;k   > 60 40 BF 89 6B 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000026B87D91030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000026B87D86200, 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 0x0000026B87D95680, 16 bytes long.
 Data: <(h&#217;&#135;k           > 28 68 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026B87D95AE0, 16 bytes long.
 Data: < h&#217;&#135;k           > 00 68 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026B87D8EC60, 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 0x0000026B87D955E0, 16 bytes long.
 Data: <&#216;g&#217;&#135;k           > D8 67 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026B87D95DB0, 16 bytes long.
 Data: <&#176;g&#217;&#135;k           > B0 67 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026B87D95630, 16 bytes long.
 Data: < g&#217;&#135;k           > 88 67 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026B87D95720, 16 bytes long.
 Data: <`g&#217;&#135;k           > 60 67 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026B87D93680, 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 0x0000026B87D962B0, 16 bytes long.
 Data: < &#182;&#215;&#135;k           > 88 B6 D7 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026B87D8EC00, 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 0x0000026B87D95540, 16 bytes long.
 Data: <`&#182;&#215;&#135;k           > 60 B6 D7 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026B87D96260, 16 bytes long.
 Data: <8&#182;&#215;&#135;k           > 38 B6 D7 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026B87D957C0, 16 bytes long.
 Data: < &#182;&#215;&#135;k           > 10 B6 D7 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026B87D959F0, 16 bytes long.
 Data: <&#232;&#181;&#215;&#135;k           > E8 B5 D7 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026B87D96350, 16 bytes long.
 Data: <&#192;&#181;&#215;&#135;k           > C0 B5 D7 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026B87D95590, 16 bytes long.
 Data: < &#181;&#215;&#135;k           > 98 B5 D7 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026B87D8EBA0, 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 0x0000026B87D95C20, 16 bytes long.
 Data: <p&#181;&#215;&#135;k           > 70 B5 D7 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026B87D7B570, 320 bytes long.
 Data: < \&#217;&#135;k   &#160;&#235;&#216;&#135;k   > 20 5C D9 87 6B 02 00 00 A0 EB D8 87 6B 02 00 00 
{279} normal block at 0x0000026B87D961C0, 16 bytes long.
 Data: <@g&#217;&#135;k           > 40 67 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026B87D96490, 16 bytes long.
 Data: < g&#217;&#135;k           > 18 67 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026B87D8F320, 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 0x0000026B87D96440, 16 bytes long.
 Data: <&#240;f&#217;&#135;k           > F0 66 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026B87D8F260, 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 0x0000026B87D95EF0, 16 bytes long.
 Data: <8f&#217;&#135;k           > 38 66 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026B87D95BD0, 16 bytes long.
 Data: < f&#217;&#135;k           > 10 66 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026B87D96170, 16 bytes long.
 Data: <&#232;e&#217;&#135;k           > E8 65 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026B87D95D60, 16 bytes long.
 Data: <&#192;e&#217;&#135;k           > C0 65 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026B87D96300, 16 bytes long.
 Data: < e&#217;&#135;k           > 98 65 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026B87D963A0, 16 bytes long.
 Data: <pe&#217;&#135;k           > 70 65 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026B87D95E00, 16 bytes long.
 Data: <&#224;:&#217;&#135;k           > E0 3A D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026B87D93AE0, 40 bytes long.
 Data: < ^&#217;&#135;k   0&#214;&#180;&#137;k   > 00 5E D9 87 6B 02 00 00 30 D6 B4 89 6B 02 00 00 
{265} normal block at 0x0000026B87D95FE0, 16 bytes long.
 Data: <Pe&#217;&#135;k           > 50 65 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026B87D95EA0, 16 bytes long.
 Data: <(e&#217;&#135;k           > 28 65 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026B87D8F200, 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 0x0000026B87D96120, 16 bytes long.
 Data: < e&#217;&#135;k           > 00 65 D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026B87D96500, 992 bytes long.
 Data: < a&#217;&#135;k    &#242;&#216;&#135;k   > 20 61 D9 87 6B 02 00 00 00 F2 D8 87 6B 02 00 00 
{97} normal block at 0x0000026B87D8F6E0, 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 0x0000026B87D8E090, 16 bytes long.
 Data: <&#192;;&#217;&#135;k           > C0 3B D9 87 6B 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000026B87D93BC0, 40 bytes long.
 Data: < &#224;&#216;&#135;k   &#224;&#246;&#216;&#135;k   > 90 E0 D8 87 6B 02 00 00 E0 F6 D8 87 6B 02 00 00 
{74} normal block at 0x0000026B87D8D910, 16 bytes long.
 Data: < &#234;&#196;~&#247;           > 80 EA C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000026B87D8D550, 16 bytes long.
 Data: <@&#233;&#196;~&#247;           > 40 E9 C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026B87D8D730, 16 bytes long.
 Data: <&#248;W&#193;~&#247;           > F8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026B87D8DF50, 16 bytes long.
 Data: <&#216;W&#193;~&#247;           > D8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026B87D8D3C0, 16 bytes long.
 Data: <P &#193;~&#247;           > 50 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026B87D8DC80, 16 bytes long.
 Data: <0 &#193;~&#247;           > 30 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026B87D8DAF0, 16 bytes long.
 Data: <&#224; &#193;~&#247;           > E0 02 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026B87D8D370, 16 bytes long.
 Data: <  &#193;~&#247;           > 10 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026B87D8D320, 16 bytes long.
 Data: <p &#193;~&#247;           > 70 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026B87D8D2D0, 16 bytes long.
 Data: < &#192;&#191;~&#247;           > 18 C0 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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