Task 38676768

Name test_26-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND4723_0
Workunit 31618666
Created 26 Oct 2026, 12:17:20 UTC
Sent 26 Oct 2026, 12:17:20 UTC
Report deadline 31 Oct 2026, 12:17:20 UTC
Received 26 Oct 2026, 12:40:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654805
Run time 21 min 59 sec
CPU time 19 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,717.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 681.57 MB
Peak swap size 3.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:18:59 (30644): wrapper (7.9.26016): starting
19:18:59 (30644): 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
19:19:00 (30644): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:19:00 (30644): 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
19:40:01 (30644): C:/Windows/system32/cmd.exe exited; CPU time 1178.734375
19:40:01 (30644): 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: 20899703 bytes.
Dumping objects ->
{3835184} normal block at 0x0000020B452F5080, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x0000020B452F5D30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835162} normal block at 0x0000020B452F50F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835151} normal block at 0x0000020B452F5940, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x0000020B435674F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835109} normal block at 0x0000020B45267FD0, 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) : {3835096} normal block at 0x0000020B43562B50, 8 bytes long.
 Data: <  &#155;C    > 00 00 9B 43 0B 02 00 00 
{3833955} normal block at 0x0000020B43562880, 8 bytes long.
 Data: <0[,E    > 30 5B 2C 45 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020B435636B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020B435592E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000020B435680A0, 16 bytes long.
 Data: <(}VC            > 28 7D 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020B435685F0, 16 bytes long.
 Data: < }VC            > 00 7D 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020B43561D70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000020B435688C0, 16 bytes long.
 Data: <&#216;|VC            > D8 7C 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B43567EC0, 16 bytes long.
 Data: <&#176;|VC            > B0 7C 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020B435681E0, 16 bytes long.
 Data: < |VC            > 88 7C 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020B43568CD0, 16 bytes long.
 Data: <`|VC            > 60 7C 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020B43567560, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000020B43568410, 16 bytes long.
 Data: <  VC            > 98 0E 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020B43561C50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000020B43568A50, 16 bytes long.
 Data: <p VC            > 70 0E 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B43568870, 16 bytes long.
 Data: <H VC            > 48 0E 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020B43568D70, 16 bytes long.
 Data: <  VC            > 20 0E 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020B43568AF0, 16 bytes long.
 Data: <&#248; VC            > F8 0D 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020B43568C80, 16 bytes long.
 Data: <&#208; VC            > D0 0D 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020B43568500, 16 bytes long.
 Data: <&#168; VC            > A8 0D 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020B435611D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000020B435685A0, 16 bytes long.
 Data: <&#128; VC            > 80 0D 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020B43560D80, 320 bytes long.
 Data: <&#160;&#133;VC    &#208; VC    > A0 85 56 43 0B 02 00 00 D0 11 56 43 0B 02 00 00 
{273} normal block at 0x0000020B435684B0, 16 bytes long.
 Data: <@|VC            > 40 7C 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020B43568960, 16 bytes long.
 Data: < |VC            > 18 7C 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020B43561710, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000020B43568550, 16 bytes long.
 Data: <&#240;{VC            > F0 7B 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020B43561F50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000020B43568230, 16 bytes long.
 Data: <8{VC            > 38 7B 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020B43568AA0, 16 bytes long.
 Data: < {VC            > 10 7B 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020B43567F10, 16 bytes long.
 Data: <&#232;zVC            > E8 7A 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020B43568190, 16 bytes long.
 Data: <&#192;zVC            > C0 7A 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020B43568370, 16 bytes long.
 Data: < zVC            > 98 7A 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020B435624C0, 16 bytes long.
 Data: <pzVC            > 70 7A 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020B435620B0, 16 bytes long.
 Data: <&#160;sVC            > A0 73 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020B435673A0, 40 bytes long.
 Data: <&#176; VC    &#208; &E    > B0 20 56 43 0B 02 00 00 D0 7F 26 45 0B 02 00 00 
{259} normal block at 0x0000020B43562060, 16 bytes long.
 Data: <PzVC            > 50 7A 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020B43562C90, 16 bytes long.
 Data: <(zVC            > 28 7A 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020B435617D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000020B43562C40, 16 bytes long.
 Data: < zVC            > 00 7A 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020B43567A00, 992 bytes long.
 Data: <@,VC    &#208; VC    > 40 2C 56 43 0B 02 00 00 D0 17 56 43 0B 02 00 00 
{91} normal block at 0x0000020B43561DD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000020B43562830, 16 bytes long.
 Data: <&#144;wVC            > 90 77 56 43 0B 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020B43567790, 40 bytes long.
 Data: <0(VC    &#208; VC    > 30 28 56 43 0B 02 00 00 D0 1D 56 43 0B 02 00 00 
{68} normal block at 0x0000020B43562380, 16 bytes long.
 Data: <&#128;&#234;&#188;&#221;&#246;           > 80 EA BC DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020B43562B00, 16 bytes long.
 Data: <@&#233;&#188;&#221;&#246;           > 40 E9 BC DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020B43562BF0, 16 bytes long.
 Data: <&#248;W &#221;&#246;           > F8 57 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020B435627E0, 16 bytes long.
 Data: <&#216;W &#221;&#246;           > D8 57 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B43562D30, 16 bytes long.
 Data: <P  &#221;&#246;           > 50 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020B43562100, 16 bytes long.
 Data: <0  &#221;&#246;           > 30 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020B435626F0, 16 bytes long.
 Data: <&#224;  &#221;&#246;           > E0 02 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020B43562DD0, 16 bytes long.
 Data: <   &#221;&#246;           > 10 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020B43562E20, 16 bytes long.
 Data: <p  &#221;&#246;           > 70 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020B43562A60, 16 bytes long.
 Data: < &#192;&#183;&#221;&#246;           > 18 C0 B7 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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