Task 38685587

Name test_479-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND8676_0
Workunit 31627049
Created 27 Oct 2026, 21:52:25 UTC
Sent 27 Oct 2026, 21:52:27 UTC
Report deadline 1 Nov 2026, 21:52:27 UTC
Received 27 Oct 2026, 22:55:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592657
Run time 29 min 16 sec
CPU time 26 min 51 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 740.45 MB
Peak swap size 10.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:26:24 (52480): wrapper (7.9.26016): starting
18:26:24 (52480): 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
18:26:25 (52480): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:26:25 (52480): 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
18:54:27 (52480): C:/Windows/system32/cmd.exe exited; CPU time 1611.203125
18:54:27 (52480): 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: 44787037 bytes.
Dumping objects ->
{3835253} normal block at 0x0000021FA5094FC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000021FA5095030, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000021FA50956C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000021FA5095810, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000021FA5095AB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x0000021FA4FECA00, 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) : {3835165} normal block at 0x0000021FA31FCF30, 8 bytes long.
 Data: <  j&#163;    > 00 00 6A A3 1F 02 00 00 
{3833995} normal block at 0x0000021FA31FD750, 8 bytes long.
 Data: <@&#166; &#165;    > 40 A6 08 A5 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x0000021FA31F8480, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x0000021FA31F9470, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{313} normal block at 0x0000021FA32057E0, 16 bytes long.
 Data: <hf &#163;            > 68 66 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x0000021FA3205FB0, 16 bytes long.
 Data: <@f &#163;            > 40 66 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000021FA31FECD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{310} normal block at 0x0000021FA32055B0, 16 bytes long.
 Data: < f &#163;            > 18 66 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000021FA3205380, 16 bytes long.
 Data: <&#240;e &#163;            > F0 65 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000021FA3205830, 16 bytes long.
 Data: <&#200;e &#163;            > C8 65 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000021FA3205A10, 16 bytes long.
 Data: <&#160;e &#163;            > A0 65 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000021FA31FFB60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{305} normal block at 0x0000021FA32058D0, 16 bytes long.
 Data: < &#217; &#163;            > 98 D9 1E A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000021FA31FED30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{303} normal block at 0x0000021FA3205C90, 16 bytes long.
 Data: <p&#217; &#163;            > 70 D9 1E A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000021FA32059C0, 16 bytes long.
 Data: <H&#217; &#163;            > 48 D9 1E A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021FA3205DD0, 16 bytes long.
 Data: < &#217; &#163;            > 20 D9 1E A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021FA3206280, 16 bytes long.
 Data: <&#248;&#216; &#163;            > F8 D8 1E A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021FA3205F60, 16 bytes long.
 Data: <&#208;&#216; &#163;            > D0 D8 1E A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021FA3205C40, 16 bytes long.
 Data: <&#168;&#216; &#163;            > A8 D8 1E A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021FA31FEC70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{295} normal block at 0x0000021FA3205A60, 16 bytes long.
 Data: < &#216; &#163;            > 80 D8 1E A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021FA31ED880, 320 bytes long.
 Data: <`Z &#163;    p&#236; &#163;    > 60 5A 20 A3 1F 02 00 00 70 EC 1F A3 1F 02 00 00 
{293} normal block at 0x0000021FA32060A0, 16 bytes long.
 Data: < e &#163;            > 80 65 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021FA3205D80, 16 bytes long.
 Data: <Xe &#163;            > 58 65 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021FA31FF570, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{290} normal block at 0x0000021FA3205880, 16 bytes long.
 Data: <0e &#163;            > 30 65 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021FA31FEC10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{288} normal block at 0x0000021FA3205560, 16 bytes long.
 Data: <xd &#163;            > 78 64 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021FA3205BF0, 16 bytes long.
 Data: <Pd &#163;            > 50 64 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021FA3205510, 16 bytes long.
 Data: <(d &#163;            > 28 64 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021FA3205790, 16 bytes long.
 Data: < d &#163;            > 00 64 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021FA3205650, 16 bytes long.
 Data: <&#216;c &#163;            > D8 63 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021FA3205600, 16 bytes long.
 Data: <&#176;c &#163;            > B0 63 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021FA3205BA0, 16 bytes long.
 Data: <&#192;&#248; &#163;            > C0 F8 1F A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021FA31FF8C0, 40 bytes long.
 Data: <&#160;[ &#163;     &#202;&#254;&#164;    > A0 5B 20 A3 1F 02 00 00 00 CA FE A4 1F 02 00 00 
{279} normal block at 0x0000021FA3205EC0, 16 bytes long.
 Data: < c &#163;            > 90 63 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021FA32056F0, 16 bytes long.
 Data: <hc &#163;            > 68 63 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021FA31FF6F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{276} normal block at 0x0000021FA3206050, 16 bytes long.
 Data: <@c &#163;            > 40 63 20 A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021FA3206340, 992 bytes long.
 Data: <P` &#163;    &#240;&#246; &#163;    > 50 60 20 A3 1F 02 00 00 F0 F6 1F A3 1F 02 00 00 
{111} normal block at 0x0000021FA31FF3F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{110} normal block at 0x0000021FA31FD480, 16 bytes long.
 Data: <@&#252; &#163;            > 40 FC 1F A3 1F 02 00 00 00 00 00 00 00 00 00 00 
{109} normal block at 0x0000021FA31FFC40, 40 bytes long.
 Data: < &#212; &#163;    &#240;&#243; &#163;    > 80 D4 1F A3 1F 02 00 00 F0 F3 1F A3 1F 02 00 00 
{88} normal block at 0x0000021FA31FCB20, 16 bytes long.
 Data: < &#234; .&#246;           > 80 EA 05 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000021FA31FD160, 16 bytes long.
 Data: <@&#233; .&#246;           > 40 E9 05 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000021FA31FD020, 16 bytes long.
 Data: <&#248;W .&#246;           > F8 57 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000021FA31FC8F0, 16 bytes long.
 Data: <&#216;W .&#246;           > D8 57 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000021FA31FD3E0, 16 bytes long.
 Data: <P  .&#246;           > 50 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000021FA31FCC10, 16 bytes long.
 Data: <0  .&#246;           > 30 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000021FA31FCFD0, 16 bytes long.
 Data: <&#224;  .&#246;           > E0 02 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000021FA31FD570, 16 bytes long.
 Data: <   .&#246;           > 10 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000021FA31FD660, 16 bytes long.
 Data: <p  .&#246;           > 70 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000021FA31FCEE0, 16 bytes long.
 Data: < &#192; .&#246;           > 18 C0 00 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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