Task 38686415

Name test_159-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND0686_0
Workunit 31627847
Created 28 Oct 2026, 2:23:20 UTC
Sent 28 Oct 2026, 2:23:26 UTC
Report deadline 2 Nov 2026, 2:23:26 UTC
Received 28 Oct 2026, 18:13:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627510
Run time 58 min 18 sec
CPU time 53 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.48 MB
Peak swap size 6.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
18:15:59 (3032): wrapper (7.9.26016): starting
18:15:59 (3032): 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
18:16:00 (3032): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:16:00 (3032): 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\7\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\7\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
19:12:51 (3032): C:/Windows/system32/cmd.exe exited; CPU time 3230.015625
19:12:51 (3032): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 56744969 bytes.
Dumping objects ->
{3835239} normal block at 0x000002360A6B46E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000002360A6B43D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x000002360A6B4600, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x000002360A6B40C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000002360A6B4360, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x000002360C28AFC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000002360A70CC50, 144 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) : {3835150} normal block at 0x000002360A6AE760, 8 bytes long.
 Data: <  &#155; 6   > 00 00 9B 0A 36 02 00 00 
{3834550} normal block at 0x000002360A70D470, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000002360A6AE3F0, 8 bytes long.
 Data: <&#192; m 6   > C0 8F 6D 0A 36 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002360A6B03C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002360A6A5610, 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 0x000002360A6B5260, 16 bytes long.
 Data: < \k 6           > 88 5C 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002360A6B5210, 16 bytes long.
 Data: <`\k 6           > 60 5C 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002360A6AF8F0, 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 0x000002360A6B4EF0, 16 bytes long.
 Data: <8\k 6           > 38 5C 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002360A6B51C0, 16 bytes long.
 Data: < \k 6           > 10 5C 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002360A6B54E0, 16 bytes long.
 Data: <&#232;[k 6           > E8 5B 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002360A6B4B30, 16 bytes long.
 Data: <&#192;[k 6           > C0 5B 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002360A6B44B0, 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 0x000002360A6B5850, 16 bytes long.
 Data: <x&#134;j 6           > 78 86 6A 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002360A6AEF90, 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 0x000002360A6B5800, 16 bytes long.
 Data: <P&#134;j 6           > 50 86 6A 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002360A6B4E50, 16 bytes long.
 Data: <(&#134;j 6           > 28 86 6A 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002360A6B52B0, 16 bytes long.
 Data: < &#134;j 6           > 00 86 6A 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002360A6B4D60, 16 bytes long.
 Data: <&#216;&#133;j 6           > D8 85 6A 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002360A6B5580, 16 bytes long.
 Data: <&#176;&#133;j 6           > B0 85 6A 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002360A6B4F40, 16 bytes long.
 Data: < &#133;j 6           > 88 85 6A 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002360A6AEC90, 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 0x000002360A6B5120, 16 bytes long.
 Data: <`&#133;j 6           > 60 85 6A 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002360A6A8560, 320 bytes long.
 Data: < Qk 6    &#236;j 6   > 20 51 6B 0A 36 02 00 00 90 EC 6A 0A 36 02 00 00 
{273} normal block at 0x000002360A6B50D0, 16 bytes long.
 Data: <&#160;[k 6           > A0 5B 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002360A6B4F90, 16 bytes long.
 Data: <x[k 6           > 78 5B 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002360A6AF890, 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 0x000002360A6B4E00, 16 bytes long.
 Data: <P[k 6           > 50 5B 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002360A6AF290, 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 0x000002360A6B5490, 16 bytes long.
 Data: < Zk 6           > 98 5A 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002360A6B4AE0, 16 bytes long.
 Data: <pZk 6           > 70 5A 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002360A6B53F0, 16 bytes long.
 Data: <HZk 6           > 48 5A 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002360A6B5710, 16 bytes long.
 Data: < Zk 6           > 20 5A 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002360A6B4D10, 16 bytes long.
 Data: <&#248;Yk 6           > F8 59 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002360A6B57B0, 16 bytes long.
 Data: <&#208;Yk 6           > D0 59 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002360A6B5080, 16 bytes long.
 Data: <&#160;Ak 6           > A0 41 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002360A6B41A0, 40 bytes long.
 Data: < Pk 6   &#192;&#175;( 6   > 80 50 6B 0A 36 02 00 00 C0 AF 28 0C 36 02 00 00 
{259} normal block at 0x000002360A6B4A90, 16 bytes long.
 Data: <&#176;Yk 6           > B0 59 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002360A6B5170, 16 bytes long.
 Data: < Yk 6           > 88 59 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002360A6AF2F0, 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 0x000002360A6B5030, 16 bytes long.
 Data: <`Yk 6           > 60 59 6B 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002360A6B5960, 992 bytes long.
 Data: <0Pk 6   &#240;&#242;j 6   > 30 50 6B 0A 36 02 00 00 F0 F2 6A 0A 36 02 00 00 
{91} normal block at 0x000002360A6AF1D0, 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 0x000002360A6AE990, 16 bytes long.
 Data: <&#240;&#237;i 6           > F0 ED 69 0A 36 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002360A69EDF0, 40 bytes long.
 Data: < &#233;j 6   &#208;&#241;j 6   > 90 E9 6A 0A 36 02 00 00 D0 F1 6A 0A 36 02 00 00 
{68} normal block at 0x000002360A6AE530, 16 bytes long.
 Data: < &#234; =&#246;           > 80 EA 11 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002360A6AE940, 16 bytes long.
 Data: <@&#233; =&#246;           > 40 E9 11 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002360A6ADE00, 16 bytes long.
 Data: <&#248;W =&#246;           > F8 57 0E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002360A6AEB20, 16 bytes long.
 Data: <&#216;W =&#246;           > D8 57 0E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002360A6AE300, 16 bytes long.
 Data: <P  =&#246;           > 50 04 0E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002360A6AE8A0, 16 bytes long.
 Data: <0  =&#246;           > 30 04 0E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002360A6AE260, 16 bytes long.
 Data: <&#224;  =&#246;           > E0 02 0E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002360A6AE580, 16 bytes long.
 Data: <   =&#246;           > 10 04 0E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002360A6ADC70, 16 bytes long.
 Data: <p  =&#246;           > 70 04 0E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002360A6AE8F0, 16 bytes long.
 Data: < &#192; =&#246;           > 18 C0 0C 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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