Task 38667660

Name test_358-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND1982_1
Workunit 31610239
Created 25 Oct 2026, 8:53:54 UTC
Sent 25 Oct 2026, 8:54:01 UTC
Report deadline 30 Oct 2026, 8:54:01 UTC
Received 25 Oct 2026, 10:27:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636059
Run time 44 min 4 sec
CPU time 21 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,302.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 915.63 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.7</core_client_version>
<![CDATA[
<stderr_txt>
05:42:48 (19000): wrapper (7.9.26016): starting
05:42:48 (19000): 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
05:42:50 (19000): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:42:50 (19000): 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
06:24:27 (19000): C:/Windows/system32/cmd.exe exited; CPU time 1282.796875
06:24:27 (19000): called boinc_finish(0)
0 bytes in 0 Free Blocks.
524 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: 48542277 bytes.
Dumping objects ->
{3835646} normal block at 0x0000022FECBDD570, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835635} normal block at 0x0000022FECBDD960, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835624} normal block at 0x0000022FECBDD1F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835613} normal block at 0x0000022FEB002820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835602} normal block at 0x0000022FEB0027B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835571} normal block at 0x0000022FEB028320, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835560} normal block at 0x0000022FECB62D50, 134 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) : {3835557} normal block at 0x0000022FEAFF9770, 8 bytes long.
 Data: <  &#147;&#236;/   > 00 00 93 EC 2F 02 00 00 
{3834755} normal block at 0x0000022FECB62BB0, 134 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x0000022FEAFF8FA0, 8 bytes long.
 Data: <p&#234;&#170;&#236;/   > 70 EA AA EC 2F 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000022FEAFEFAE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000022FEAFEDD10, 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 0x0000022FEB003FD0, 16 bytes long.
 Data: <&#216;R &#235;/           > D8 52 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022FEB003F80, 16 bytes long.
 Data: <&#176;R &#235;/           > B0 52 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022FEAFFDCF0, 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 0x0000022FEB003F30, 16 bytes long.
 Data: < R &#235;/           > 88 52 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022FEB003EE0, 16 bytes long.
 Data: <`R &#235;/           > 60 52 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022FEB003E90, 16 bytes long.
 Data: <8R &#235;/           > 38 52 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022FEB004CA0, 16 bytes long.
 Data: < R &#235;/           > 10 52 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022FEB002900, 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 0x0000022FEB004BB0, 16 bytes long.
 Data: <&#168;&#220;&#254;&#234;/           > A8 DC FE EA 2F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022FEAFFE2F0, 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 0x0000022FEB004B60, 16 bytes long.
 Data: < &#220;&#254;&#234;/           > 80 DC FE EA 2F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022FEB004110, 16 bytes long.
 Data: <X&#220;&#254;&#234;/           > 58 DC FE EA 2F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022FEB0048E0, 16 bytes long.
 Data: <0&#220;&#254;&#234;/           > 30 DC FE EA 2F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022FEB0047A0, 16 bytes long.
 Data: < &#220;&#254;&#234;/           > 08 DC FE EA 2F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022FEB004610, 16 bytes long.
 Data: <&#224;&#219;&#254;&#234;/           > E0 DB FE EA 2F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022FEB004480, 16 bytes long.
 Data: <&#184;&#219;&#254;&#234;/           > B8 DB FE EA 2F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022FEAFFE110, 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 0x0000022FEB004C50, 16 bytes long.
 Data: < &#219;&#254;&#234;/           > 90 DB FE EA 2F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022FEAFEDB90, 320 bytes long.
 Data: <PL &#235;/    &#225;&#255;&#234;/   > 50 4C 00 EB 2F 02 00 00 10 E1 FF EA 2F 02 00 00 
{281} normal block at 0x0000022FEB004C00, 16 bytes long.
 Data: <&#240;Q &#235;/           > F0 51 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022FEB004430, 16 bytes long.
 Data: <&#200;Q &#235;/           > C8 51 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022FEAFFE530, 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 0x0000022FEB0041B0, 16 bytes long.
 Data: <&#160;Q &#235;/           > A0 51 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022FEAFFE410, 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 0x0000022FEB004070, 16 bytes long.
 Data: <&#232;P &#235;/           > E8 50 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022FEB0043E0, 16 bytes long.
 Data: <&#192;P &#235;/           > C0 50 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022FEB004B10, 16 bytes long.
 Data: < P &#235;/           > 98 50 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022FEB004890, 16 bytes long.
 Data: <pP &#235;/           > 70 50 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022FEB0040C0, 16 bytes long.
 Data: <HP &#235;/           > 48 50 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022FEB0044D0, 16 bytes long.
 Data: < P &#235;/           > 20 50 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022FEB004840, 16 bytes long.
 Data: <0$ &#235;/           > 30 24 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022FEB002430, 40 bytes long.
 Data: <@H &#235;/    &#131; &#235;/   > 40 48 00 EB 2F 02 00 00 20 83 02 EB 2F 02 00 00 
{267} normal block at 0x0000022FEB003E40, 16 bytes long.
 Data: < P &#235;/           > 00 50 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022FEB004250, 16 bytes long.
 Data: <&#216;O &#235;/           > D8 4F 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022FEAFFE050, 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 0x0000022FEB004200, 16 bytes long.
 Data: <&#176;O &#235;/           > B0 4F 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022FEB004FB0, 992 bytes long.
 Data: < B &#235;/   P&#224;&#255;&#234;/   > 00 42 00 EB 2F 02 00 00 50 E0 FF EA 2F 02 00 00 
{99} normal block at 0x0000022FEAFFD990, 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 0x0000022FEAFF9680, 16 bytes long.
 Data: < % &#235;/           > 80 25 00 EB 2F 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000022FEB002580, 40 bytes long.
 Data: < &#150;&#255;&#234;/    &#217;&#255;&#234;/   > 80 96 FF EA 2F 02 00 00 90 D9 FF EA 2F 02 00 00 
{76} normal block at 0x0000022FEAFF9720, 16 bytes long.
 Data: < &#234;ld&#247;           > 80 EA 6C 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000022FEAFF9450, 16 bytes long.
 Data: <@&#233;ld&#247;           > 40 E9 6C 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000022FEAFF93B0, 16 bytes long.
 Data: <&#248;Wid&#247;           > F8 57 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022FEAFF8C30, 16 bytes long.
 Data: <&#216;Wid&#247;           > D8 57 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022FEAFF8D20, 16 bytes long.
 Data: <P id&#247;           > 50 04 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022FEAFF8BE0, 16 bytes long.
 Data: <0 id&#247;           > 30 04 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022FEAFF9400, 16 bytes long.
 Data: <&#224; id&#247;           > E0 02 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022FEAFF9360, 16 bytes long.
 Data: <  id&#247;           > 10 04 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022FEAFF9310, 16 bytes long.
 Data: <p id&#247;           > 70 04 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022FEAFF9220, 16 bytes long.
 Data: < &#192;gd&#247;           > 18 C0 67 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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