Task 38682339

Name test_311-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND8266_0
Workunit 31623958
Created 27 Oct 2026, 7:25:18 UTC
Sent 27 Oct 2026, 7:25:19 UTC
Report deadline 1 Nov 2026, 7:25:19 UTC
Received 27 Oct 2026, 7:53:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592657
Run time 27 min 7 sec
CPU time 24 min 39 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 725.37 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:27:13 (52044): wrapper (7.9.26016): starting
03:27:13 (52044): 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
03:27:14 (52044): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:27:14 (52044): 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
03:53:11 (52044): C:/Windows/system32/cmd.exe exited; CPU time 1479.203125
03:53:11 (52044): 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: 45973471 bytes.
Dumping objects ->
{3835253} normal block at 0x00000214A51E06C0, 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 0x00000214A51E0490, 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 0x00000214A51E0420, 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 0x00000214A51E0730, 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 0x00000214A51E09D0, 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 0x00000214A525CB50, 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 0x00000214A343C610, 8 bytes long.
 Data: <  &#161;&#163;    > 00 00 A1 A3 14 02 00 00 
{3833995} normal block at 0x00000214A343C5C0, 8 bytes long.
 Data: <0 /&#165;    > 30 8F 2F A5 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x00000214A3438E10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x00000214A34305E0, 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 0x00000214A3445E10, 16 bytes long.
 Data: <&#232;bD&#163;            > E8 62 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x00000214A3445AA0, 16 bytes long.
 Data: <&#192;bD&#163;            > C0 62 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000214A343E890, 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 0x00000214A3445910, 16 bytes long.
 Data: < bD&#163;            > 98 62 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000214A3445190, 16 bytes long.
 Data: <pbD&#163;            > 70 62 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000214A3445BE0, 16 bytes long.
 Data: <HbD&#163;            > 48 62 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000214A3445DC0, 16 bytes long.
 Data: < bD&#163;            > 20 62 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000214A343F540, 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 0x00000214A34459B0, 16 bytes long.
 Data: < &#217;B&#163;            > 98 D9 42 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000214A343EFB0, 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 0x00000214A3445E60, 16 bytes long.
 Data: <p&#217;B&#163;            > 70 D9 42 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000214A3445780, 16 bytes long.
 Data: <H&#217;B&#163;            > 48 D9 42 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000214A3445730, 16 bytes long.
 Data: < &#217;B&#163;            > 20 D9 42 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000214A3445370, 16 bytes long.
 Data: <&#248;&#216;B&#163;            > F8 D8 42 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000214A3445EB0, 16 bytes long.
 Data: <&#208;&#216;B&#163;            > D0 D8 42 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000214A34452D0, 16 bytes long.
 Data: <&#168;&#216;B&#163;            > A8 D8 42 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000214A343EDD0, 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 0x00000214A3445CD0, 16 bytes long.
 Data: < &#216;B&#163;            > 80 D8 42 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000214A342D880, 320 bytes long.
 Data: <&#208;\D&#163;    &#208;&#237;C&#163;    > D0 5C 44 A3 14 02 00 00 D0 ED 43 A3 14 02 00 00 
{293} normal block at 0x00000214A3445280, 16 bytes long.
 Data: < bD&#163;            > 00 62 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000214A34450F0, 16 bytes long.
 Data: <&#216;aD&#163;            > D8 61 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000214A343ED70, 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 0x00000214A34451E0, 16 bytes long.
 Data: <&#176;aD&#163;            > B0 61 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000214A343E650, 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 0x00000214A3445000, 16 bytes long.
 Data: <&#248;`D&#163;            > F8 60 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000214A3445C80, 16 bytes long.
 Data: <&#208;`D&#163;            > D0 60 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000214A3445A50, 16 bytes long.
 Data: <&#168;`D&#163;            > A8 60 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000214A3445320, 16 bytes long.
 Data: < `D&#163;            > 80 60 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000214A3445D70, 16 bytes long.
 Data: <X`D&#163;            > 58 60 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000214A3445820, 16 bytes long.
 Data: <0`D&#163;            > 30 60 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000214A3445A00, 16 bytes long.
 Data: < &#250;C&#163;            > 80 FA 43 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000214A343FA80, 40 bytes long.
 Data: < ZD&#163;    P&#203;%&#165;    > 00 5A 44 A3 14 02 00 00 50 CB 25 A5 14 02 00 00 
{279} normal block at 0x00000214A3445F50, 16 bytes long.
 Data: < `D&#163;            > 10 60 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000214A3445230, 16 bytes long.
 Data: <&#232;_D&#163;            > E8 5F 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000214A343F3D0, 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 0x00000214A3445C30, 16 bytes long.
 Data: <&#192;_D&#163;            > C0 5F 44 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000214A3445FC0, 992 bytes long.
 Data: <0\D&#163;    &#208;&#243;C&#163;    > 30 5C 44 A3 14 02 00 00 D0 F3 43 A3 14 02 00 00 
{111} normal block at 0x00000214A343F250, 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 0x00000214A343D3D0, 16 bytes long.
 Data: < &#246;C&#163;            > 20 F6 43 A3 14 02 00 00 00 00 00 00 00 00 00 00 
{109} normal block at 0x00000214A343F620, 40 bytes long.
 Data: <&#208;&#211;C&#163;    P&#242;C&#163;    > D0 D3 43 A3 14 02 00 00 50 F2 43 A3 14 02 00 00 
{88} normal block at 0x00000214A343CD40, 16 bytes long.
 Data: < &#234;r"&#247;           > 80 EA 72 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000214A343D060, 16 bytes long.
 Data: <@&#233;r"&#247;           > 40 E9 72 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000214A343C7A0, 16 bytes long.
 Data: <&#248;Wo"&#247;           > F8 57 6F 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000214A343CA70, 16 bytes long.
 Data: <&#216;Wo"&#247;           > D8 57 6F 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000214A343C7F0, 16 bytes long.
 Data: <P o"&#247;           > 50 04 6F 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000214A343CFC0, 16 bytes long.
 Data: <0 o"&#247;           > 30 04 6F 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000214A343D240, 16 bytes long.
 Data: <&#224; o"&#247;           > E0 02 6F 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000214A343CB60, 16 bytes long.
 Data: <  o"&#247;           > 10 04 6F 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000214A343CB10, 16 bytes long.
 Data: <p o"&#247;           > 70 04 6F 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000214A343CC00, 16 bytes long.
 Data: < &#192;m"&#247;           > 18 C0 6D 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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