Task 38656257

Name test_150-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND8960_0
Workunit 31599995
Created 24 Oct 2026, 10:28:04 UTC
Sent 24 Oct 2026, 10:28:20 UTC
Report deadline 29 Oct 2026, 10:28:20 UTC
Received 24 Oct 2026, 10:49:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648286
Run time 20 min 31 sec
CPU time 19 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.95 MB
Peak swap size 7.02 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:29:33 (412): wrapper (7.9.26016): starting
12:29:33 (412): 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
12:29:34 (412): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:29:34 (412): 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
12:48:55 (412): C:/Windows/system32/cmd.exe exited; CPU time 1178.046875
12:48:55 (412): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 13755893 bytes.
Dumping objects ->
{3835261} normal block at 0x000001B13D898CA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835250} normal block at 0x000001B13D8988B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001B13D899250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835228} normal block at 0x000001B13D898AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x000001B13D899330, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835186} normal block at 0x000001B13F638260, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001B13F691D90, 160 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) : {3835172} normal block at 0x000001B13D86F440, 8 bytes long.
 Data: <  &#214;=&#177;   > 00 00 D6 3D B1 01 00 00 
{3834575} normal block at 0x000001B13F691BD0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833981} normal block at 0x000001B13D86F710, 8 bytes long.
 Data: <&#240;=l?&#177;   > F0 3D 6C 3F B1 01 00 00 
..\zip\boinc_zip.cpp(122) : {322} normal block at 0x000001B13D871160, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001B13D8663F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{306} normal block at 0x000001B13D8753A0, 16 bytes long.
 Data: <hc&#135;=&#177;           > 68 63 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001B13D8752B0, 16 bytes long.
 Data: <@c&#135;=&#177;           > 40 63 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001B13D86DD50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{303} normal block at 0x000001B13D875AD0, 16 bytes long.
 Data: < c&#135;=&#177;           > 18 63 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001B13D875E40, 16 bytes long.
 Data: <&#240;b&#135;=&#177;           > F0 62 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001B13D875990, 16 bytes long.
 Data: <&#200;b&#135;=&#177;           > C8 62 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001B13D875800, 16 bytes long.
 Data: <&#160;b&#135;=&#177;           > A0 62 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001B13D86FC90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{298} normal block at 0x000001B13D875300, 16 bytes long.
 Data: <H &#134;=&#177;           > 48 05 86 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B13D86D930, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{296} normal block at 0x000001B13D875BC0, 16 bytes long.
 Data: <  &#134;=&#177;           > 20 05 86 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B13D875A30, 16 bytes long.
 Data: <&#248; &#134;=&#177;           > F8 04 86 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B13D875D50, 16 bytes long.
 Data: <&#208; &#134;=&#177;           > D0 04 86 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B13D875CB0, 16 bytes long.
 Data: <&#168; &#134;=&#177;           > A8 04 86 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B13D875C60, 16 bytes long.
 Data: <  &#134;=&#177;           > 80 04 86 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B13D875B20, 16 bytes long.
 Data: <X &#134;=&#177;           > 58 04 86 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B13D86D8D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{288} normal block at 0x000001B13D875940, 16 bytes long.
 Data: <0 &#134;=&#177;           > 30 04 86 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B13D860430, 320 bytes long.
 Data: <@Y&#135;=&#177;   &#208;&#216;&#134;=&#177;   > 40 59 87 3D B1 01 00 00 D0 D8 86 3D B1 01 00 00 
{286} normal block at 0x000001B13D875E90, 16 bytes long.
 Data: < b&#135;=&#177;           > 80 62 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B13D875850, 16 bytes long.
 Data: <Xb&#135;=&#177;           > 58 62 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B13D86DBD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{283} normal block at 0x000001B13D875440, 16 bytes long.
 Data: <0b&#135;=&#177;           > 30 62 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B13D86DC90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{281} normal block at 0x000001B13D875670, 16 bytes long.
 Data: <xa&#135;=&#177;           > 78 61 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B13D8757B0, 16 bytes long.
 Data: <Pa&#135;=&#177;           > 50 61 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B13D8753F0, 16 bytes long.
 Data: <(a&#135;=&#177;           > 28 61 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B13D875260, 16 bytes long.
 Data: < a&#135;=&#177;           > 00 61 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B13D875C10, 16 bytes long.
 Data: <&#216;`&#135;=&#177;           > D8 60 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B13D875760, 16 bytes long.
 Data: <&#176;`&#135;=&#177;           > B0 60 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B13D875170, 16 bytes long.
 Data: < &#252;&#134;=&#177;           > 20 FC 86 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B13D86FC20, 40 bytes long.
 Data: <pQ&#135;=&#177;   `&#130;c?&#177;   > 70 51 87 3D B1 01 00 00 60 82 63 3F B1 01 00 00 
{272} normal block at 0x000001B13D875A80, 16 bytes long.
 Data: < `&#135;=&#177;           > 90 60 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B13D875530, 16 bytes long.
 Data: <h`&#135;=&#177;           > 68 60 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B13D86D870, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{269} normal block at 0x000001B13D8751C0, 16 bytes long.
 Data: <@`&#135;=&#177;           > 40 60 87 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B13D876040, 992 bytes long.
 Data: <&#192;Q&#135;=&#177;   p&#216;&#134;=&#177;   > C0 51 87 3D B1 01 00 00 70 D8 86 3D B1 01 00 00 
{104} normal block at 0x000001B13D86D630, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{103} normal block at 0x000001B13D86F210, 16 bytes long.
 Data: <@&#251;&#134;=&#177;           > 40 FB 86 3D B1 01 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x000001B13D86FB40, 40 bytes long.
 Data: < &#242;&#134;=&#177;   0&#214;&#134;=&#177;   > 10 F2 86 3D B1 01 00 00 30 D6 86 3D B1 01 00 00 
{81} normal block at 0x000001B13D86F3A0, 16 bytes long.
 Data: < &#234;&#220;&#142;&#246;           > 80 EA DC 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001B13D86F5D0, 16 bytes long.
 Data: <@&#233;&#220;&#142;&#246;           > 40 E9 DC 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001B13D86F490, 16 bytes long.
 Data: <&#248;W&#217;&#142;&#246;           > F8 57 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001B13D86F580, 16 bytes long.
 Data: <&#216;W&#217;&#142;&#246;           > D8 57 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001B13D86F350, 16 bytes long.
 Data: <P &#217;&#142;&#246;           > 50 04 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001B13D86F530, 16 bytes long.
 Data: <0 &#217;&#142;&#246;           > 30 04 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001B13D86ED10, 16 bytes long.
 Data: <&#224; &#217;&#142;&#246;           > E0 02 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001B13D86F1C0, 16 bytes long.
 Data: <  &#217;&#142;&#246;           > 10 04 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001B13D86E9F0, 16 bytes long.
 Data: <p &#217;&#142;&#246;           > 70 04 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B13D86EF90, 16 bytes long.
 Data: < &#192;&#215;&#142;&#246;           > 18 C0 D7 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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