Task 38668315

Name test_896-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND4007_0
Workunit 31610855
Created 25 Oct 2026, 11:22:08 UTC
Sent 25 Oct 2026, 11:22:22 UTC
Report deadline 30 Oct 2026, 11:22:22 UTC
Received 25 Oct 2026, 11:59:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652004
Run time 26 min 22 sec
CPU time 24 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.40 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:33:20 (24124): wrapper (7.9.26016): starting
05:33:20 (24124): 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
05:33:21 (24124): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:33:21 (24124): 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
05:58:41 (24124): C:/Windows/system32/cmd.exe exited; CPU time 1492.656250
05:58:41 (24124): 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: 8689819 bytes.
Dumping objects ->
{3835257} normal block at 0x0000024418C35980, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x0000024418C35910, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000024418C358A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x0000024418C35AD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x0000024418C35A60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x000002441AA4A600, 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) : {3835169} normal block at 0x0000024418C2EEC0, 8 bytes long.
 Data: <    D   > 00 00 80 1A 44 02 00 00 
{3833955} normal block at 0x0000024418C2ED80, 8 bytes long.
 Data: <&#176;;&#170; D   > B0 3B AA 1A 44 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000024418C30530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024418C1E1E0, 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 0x0000024418C369F0, 16 bytes long.
 Data: <&#216;`&#195; D           > D8 60 C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024418C36C20, 16 bytes long.
 Data: <&#176;`&#195; D           > B0 60 C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024418C2F860, 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 0x0000024418C36900, 16 bytes long.
 Data: < `&#195; D           > 88 60 C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024418C367C0, 16 bytes long.
 Data: <``&#195; D           > 60 60 C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024418C36400, 16 bytes long.
 Data: <8`&#195; D           > 38 60 C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024418C368B0, 16 bytes long.
 Data: < `&#195; D           > 10 60 C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024418C35750, 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 0x0000024418C36770, 16 bytes long.
 Data: <  &#194; D           > 88 00 C2 18 44 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024418C2F260, 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 0x0000024418C36860, 16 bytes long.
 Data: <` &#194; D           > 60 00 C2 18 44 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024418C36DB0, 16 bytes long.
 Data: <8 &#194; D           > 38 00 C2 18 44 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024418C36D60, 16 bytes long.
 Data: <  &#194; D           > 10 00 C2 18 44 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024418C36A90, 16 bytes long.
 Data: <&#232;&#255;&#193; D           > E8 FF C1 18 44 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024418C369A0, 16 bytes long.
 Data: <&#192;&#255;&#193; D           > C0 FF C1 18 44 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024418C36A40, 16 bytes long.
 Data: < &#255;&#193; D           > 98 FF C1 18 44 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024418C2FEC0, 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 0x0000024418C36BD0, 16 bytes long.
 Data: <p&#255;&#193; D           > 70 FF C1 18 44 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024418C1FF70, 320 bytes long.
 Data: <&#208;k&#195; D   &#192;&#254;&#194; D   > D0 6B C3 18 44 02 00 00 C0 FE C2 18 44 02 00 00 
{273} normal block at 0x0000024418C364F0, 16 bytes long.
 Data: <&#240;_&#195; D           > F0 5F C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024418C36D10, 16 bytes long.
 Data: <&#200;_&#195; D           > C8 5F C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024418C2F020, 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 0x0000024418C365E0, 16 bytes long.
 Data: <&#160;_&#195; D           > A0 5F C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024418C2FBC0, 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 0x0000024418C36950, 16 bytes long.
 Data: <&#232;^&#195; D           > E8 5E C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024418C36CC0, 16 bytes long.
 Data: <&#192;^&#195; D           > C0 5E C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024418C36F40, 16 bytes long.
 Data: < ^&#195; D           > 98 5E C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024418C36810, 16 bytes long.
 Data: <p^&#195; D           > 70 5E C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024418C363B0, 16 bytes long.
 Data: <H^&#195; D           > 48 5E C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024418C2E3D0, 16 bytes long.
 Data: < ^&#195; D           > 20 5E C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024418C2EC40, 16 bytes long.
 Data: <pV&#195; D           > 70 56 C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024418C35670, 40 bytes long.
 Data: <@&#236;&#194; D    &#166;&#164; D   > 40 EC C2 18 44 02 00 00 00 A6 A4 1A 44 02 00 00 
{259} normal block at 0x0000024418C2E790, 16 bytes long.
 Data: < ^&#195; D           > 00 5E C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024418C2EBF0, 16 bytes long.
 Data: <&#216;]&#195; D           > D8 5D C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024418C2F5C0, 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 0x0000024418C2EA10, 16 bytes long.
 Data: <&#176;]&#195; D           > B0 5D C3 18 44 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024418C35DB0, 992 bytes long.
 Data: < &#234;&#194; D   &#192;&#245;&#194; D   > 10 EA C2 18 44 02 00 00 C0 F5 C2 18 44 02 00 00 
{91} normal block at 0x0000024418C2F080, 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 0x0000024418C2E0B0, 16 bytes long.
 Data: <p&#242;&#193; D           > 70 F2 C1 18 44 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000024418C1F270, 40 bytes long.
 Data: <&#176;&#224;&#194; D    &#240;&#194; D   > B0 E0 C2 18 44 02 00 00 80 F0 C2 18 44 02 00 00 
{68} normal block at 0x0000024418C2EE70, 16 bytes long.
 Data: < &#234; &#133;&#247;           > 80 EA 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024418C2E880, 16 bytes long.
 Data: <@&#233; &#133;&#247;           > 40 E9 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024418C2E920, 16 bytes long.
 Data: <&#248;W&#255;&#132;&#247;           > F8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024418C2EAB0, 16 bytes long.
 Data: <&#216;W&#255;&#132;&#247;           > D8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024418C2E8D0, 16 bytes long.
 Data: <P &#255;&#132;&#247;           > 50 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024418C2E1A0, 16 bytes long.
 Data: <0 &#255;&#132;&#247;           > 30 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024418C2EBA0, 16 bytes long.
 Data: <&#224; &#255;&#132;&#247;           > E0 02 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024418C2EF60, 16 bytes long.
 Data: <  &#255;&#132;&#247;           > 10 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024418C2EDD0, 16 bytes long.
 Data: <p &#255;&#132;&#247;           > 70 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024418C2EB50, 16 bytes long.
 Data: < &#192;&#253;&#132;&#247;           > 18 C0 FD 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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