Task 38684232

Name test_30-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND0637_0
Workunit 31625752
Created 27 Oct 2026, 15:21:01 UTC
Sent 27 Oct 2026, 15:21:06 UTC
Report deadline 1 Nov 2026, 15:21:06 UTC
Received 28 Oct 2026, 13:30:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627510
Run time 59 min 42 sec
CPU time 55 min 55 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 712.93 MB
Peak swap size 6.84 GB
Peak disk usage 4.16 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
13:31:32 (19292): wrapper (7.9.26016): starting
13:31:32 (19292): 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
13:31:34 (19292): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:31:34 (19292): 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
14:29:41 (19292): C:/Windows/system32/cmd.exe exited; CPU time 3355.281250
14:29:41 (19292): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 57923551 bytes.
Dumping objects ->
{3835239} normal block at 0x00000171D93B46E0, 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 0x00000171D93B4670, 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 0x00000171D93B4590, 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 0x00000171D93B4130, 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 0x00000171D93B4520, 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 0x00000171DAFD9240, 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 0x00000171D940DA20, 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 0x00000171D93AE7B0, 8 bytes long.
 Data: <  1&#217;q   > 00 00 31 D9 71 01 00 00 
{3834550} normal block at 0x00000171D940D200, 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 0x00000171D93AE9E0, 8 bytes long.
 Data: <&#192; =&#217;q   > C0 8F 3D D9 71 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000171D93AFEC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000171D93A5340, 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 0x00000171D93B55D0, 16 bytes long.
 Data: < \;&#217;q           > 88 5C 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000171D93B5350, 16 bytes long.
 Data: <`\;&#217;q           > 60 5C 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000171D93AF590, 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 0x00000171D93B4A90, 16 bytes long.
 Data: <8\;&#217;q           > 38 5C 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000171D93B5300, 16 bytes long.
 Data: < \;&#217;q           > 10 5C 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000171D93B50D0, 16 bytes long.
 Data: <&#232;[;&#217;q           > E8 5B 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000171D93B4E50, 16 bytes long.
 Data: <&#192;[;&#217;q           > C0 5B 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000171D93B4210, 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 0x00000171D93B5080, 16 bytes long.
 Data: <x&#134;:&#217;q           > 78 86 3A D9 71 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000171D93AF1D0, 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 0x00000171D93B5580, 16 bytes long.
 Data: <P&#134;:&#217;q           > 50 86 3A D9 71 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000171D93B4B80, 16 bytes long.
 Data: <(&#134;:&#217;q           > 28 86 3A D9 71 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000171D93B5030, 16 bytes long.
 Data: < &#134;:&#217;q           > 00 86 3A D9 71 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000171D93B5120, 16 bytes long.
 Data: <&#216;&#133;:&#217;q           > D8 85 3A D9 71 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000171D93B5170, 16 bytes long.
 Data: <&#176;&#133;:&#217;q           > B0 85 3A D9 71 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000171D93B4F90, 16 bytes long.
 Data: < &#133;:&#217;q           > 88 85 3A D9 71 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000171D93AEE10, 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 0x00000171D93B4CC0, 16 bytes long.
 Data: <`&#133;:&#217;q           > 60 85 3A D9 71 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000171D93A8560, 320 bytes long.
 Data: <&#192;L;&#217;q    &#238;:&#217;q   > C0 4C 3B D9 71 01 00 00 10 EE 3A D9 71 01 00 00 
{273} normal block at 0x00000171D93B52B0, 16 bytes long.
 Data: <&#160;[;&#217;q           > A0 5B 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000171D93B56C0, 16 bytes long.
 Data: <x[;&#217;q           > 78 5B 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000171D93AF530, 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 0x00000171D93B4E00, 16 bytes long.
 Data: <P[;&#217;q           > 50 5B 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000171D93AF9B0, 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 0x00000171D93B54E0, 16 bytes long.
 Data: < Z;&#217;q           > 98 5A 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000171D93B4AE0, 16 bytes long.
 Data: <pZ;&#217;q           > 70 5A 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000171D93B4C20, 16 bytes long.
 Data: <HZ;&#217;q           > 48 5A 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000171D93B5260, 16 bytes long.
 Data: < Z;&#217;q           > 20 5A 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000171D93B4EA0, 16 bytes long.
 Data: <&#248;Y;&#217;q           > F8 59 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000171D93B5760, 16 bytes long.
 Data: <&#208;Y;&#217;q           > D0 59 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000171D93B5440, 16 bytes long.
 Data: <P@;&#217;q           > 50 40 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000171D93B4050, 40 bytes long.
 Data: <@T;&#217;q   @&#146;&#253;&#218;q   > 40 54 3B D9 71 01 00 00 40 92 FD DA 71 01 00 00 
{259} normal block at 0x00000171D93B5670, 16 bytes long.
 Data: <&#176;Y;&#217;q           > B0 59 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000171D93B5210, 16 bytes long.
 Data: < Y;&#217;q           > 88 59 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000171D93AF170, 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 0x00000171D93B5800, 16 bytes long.
 Data: <`Y;&#217;q           > 60 59 3B D9 71 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000171D93B5960, 992 bytes long.
 Data: < X;&#217;q   p&#241;:&#217;q   > 00 58 3B D9 71 01 00 00 70 F1 3A D9 71 01 00 00 
{91} normal block at 0x00000171D93AF0B0, 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 0x00000171D93AE120, 16 bytes long.
 Data: <&#240;&#237;9&#217;q           > F0 ED 39 D9 71 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000171D939EDF0, 40 bytes long.
 Data: < &#225;:&#217;q   &#176;&#240;:&#217;q   > 20 E1 3A D9 71 01 00 00 B0 F0 3A D9 71 01 00 00 
{68} normal block at 0x00000171D93ADF90, 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 0x00000171D93AE940, 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 0x00000171D93ADE00, 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 0x00000171D93AEB70, 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 0x00000171D93AE850, 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 0x00000171D93ADC70, 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 0x00000171D93AE990, 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 0x00000171D93AEAD0, 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 0x00000171D93AE5D0, 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 0x00000171D93AE6C0, 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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