Task 38687723

Name test_541-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8000_0
Workunit 31629104
Created 28 Oct 2026, 9:24:26 UTC
Sent 28 Oct 2026, 9:24:27 UTC
Report deadline 2 Nov 2026, 9:24:27 UTC
Received 28 Oct 2026, 9:47:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 518413
Run time 21 min 26 sec
CPU time 20 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,867.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.05 MB
Peak swap size 6.99 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:25:38 (71564): wrapper (7.9.26016): starting
02:25:38 (71564): 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
02:25:39 (71564): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:25:39 (71564): 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\1\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\1\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
02:46:14 (71564): C:/Windows/system32/cmd.exe exited; CPU time 1217.484375
02:46:14 (71564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 22962741 bytes.
Dumping objects ->
{3835219} normal block at 0x000001CB6CAB5FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001CB6CAB5F40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001CB6CAB6250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001CB6CAB5D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001CB6CAB6090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000001CB6E798020, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001CB6CB1B380, 140 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) : {3835130} normal block at 0x000001CB6CAAEC40, 8 bytes long.
 Data: <   m&#203;   > 00 00 02 6D CB 01 00 00 
{3834533} normal block at 0x000001CB6CB1B930, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001CB6CAAEA60, 8 bytes long.
 Data: < &#178;&#173;l&#203;   > 00 B2 AD 6C CB 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001CB6CAB23A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CB6CAA6E40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001CB6CAB7360, 16 bytes long.
 Data: < w&#171;l&#203;           > 98 77 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CB6CAB6AA0, 16 bytes long.
 Data: <pw&#171;l&#203;           > 70 77 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CB6CAB0890, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001CB6CAB6640, 16 bytes long.
 Data: <Hw&#171;l&#203;           > 48 77 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CB6CAB6D20, 16 bytes long.
 Data: < w&#171;l&#203;           > 20 77 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CB6CAB6500, 16 bytes long.
 Data: <&#248;v&#171;l&#203;           > F8 76 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CB6CAB72C0, 16 bytes long.
 Data: <&#208;v&#171;l&#203;           > D0 76 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CB6CAB5CA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001CB6CAB6910, 16 bytes long.
 Data: <&#248;&#158;&#170;l&#203;           > F8 9E AA 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CB6CAAFAB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001CB6CAB7040, 16 bytes long.
 Data: <&#208;&#158;&#170;l&#203;           > D0 9E AA 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CB6CAB6CD0, 16 bytes long.
 Data: <&#168;&#158;&#170;l&#203;           > A8 9E AA 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CB6CAB6B40, 16 bytes long.
 Data: < &#158;&#170;l&#203;           > 80 9E AA 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CB6CAB6F50, 16 bytes long.
 Data: <X&#158;&#170;l&#203;           > 58 9E AA 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CB6CAB6FF0, 16 bytes long.
 Data: <0&#158;&#170;l&#203;           > 30 9E AA 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CB6CAB7270, 16 bytes long.
 Data: < &#158;&#170;l&#203;           > 08 9E AA 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CB6CAB07D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001CB6CAB6A00, 16 bytes long.
 Data: <&#224; &#170;l&#203;           > E0 9D AA 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CB6CAA9DE0, 320 bytes long.
 Data: < j&#171;l&#203;   &#208; &#171;l&#203;   > 00 6A AB 6C CB 01 00 00 D0 07 AB 6C CB 01 00 00 
{271} normal block at 0x000001CB6CAB71D0, 16 bytes long.
 Data: <&#176;v&#171;l&#203;           > B0 76 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CB6CAB7180, 16 bytes long.
 Data: < v&#171;l&#203;           > 88 76 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CB6CAB00B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001CB6CAB65F0, 16 bytes long.
 Data: <`v&#171;l&#203;           > 60 76 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CB6CAAFB70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001CB6CAB65A0, 16 bytes long.
 Data: <&#168;u&#171;l&#203;           > A8 75 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CB6CAB6FA0, 16 bytes long.
 Data: < u&#171;l&#203;           > 80 75 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CB6CAB7220, 16 bytes long.
 Data: <Xu&#171;l&#203;           > 58 75 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CB6CAB6870, 16 bytes long.
 Data: <0u&#171;l&#203;           > 30 75 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CB6CAB6D70, 16 bytes long.
 Data: < u&#171;l&#203;           > 08 75 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CB6CAB6C80, 16 bytes long.
 Data: <&#224;t&#171;l&#203;           > E0 74 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CB6CAB6550, 16 bytes long.
 Data: <&#160;c&#171;l&#203;           > A0 63 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CB6CAB63A0, 40 bytes long.
 Data: <Pe&#171;l&#203;     yn&#203;   > 50 65 AB 6C CB 01 00 00 20 80 79 6E CB 01 00 00 
{257} normal block at 0x000001CB6CAB7310, 16 bytes long.
 Data: <&#192;t&#171;l&#203;           > C0 74 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CB6CAB6690, 16 bytes long.
 Data: < t&#171;l&#203;           > 98 74 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CB6CAAFFF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001CB6CAB6C30, 16 bytes long.
 Data: <pt&#171;l&#203;           > 70 74 AB 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001CB6CAB7470, 992 bytes long.
 Data: <0l&#171;l&#203;   &#240;&#255;&#170;l&#203;   > 30 6C AB 6C CB 01 00 00 F0 FF AA 6C CB 01 00 00 
{89} normal block at 0x000001CB6CAAFED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001CB6CAAE5B0, 16 bytes long.
 Data: <&#176;&#227;&#169;l&#203;           > B0 E3 A9 6C CB 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001CB6CA9E3B0, 40 bytes long.
 Data: <&#176;&#229;&#170;l&#203;   &#208;&#254;&#170;l&#203;   > B0 E5 AA 6C CB 01 00 00 D0 FE AA 6C CB 01 00 00 
{66} normal block at 0x000001CB6CAAE880, 16 bytes long.
 Data: < &#234;Y &#246;           > 80 EA 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CB6CAAE6A0, 16 bytes long.
 Data: <@&#233;Y &#246;           > 40 E9 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CB6CAAEB50, 16 bytes long.
 Data: <&#248;WV &#246;           > F8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CB6CAAEBA0, 16 bytes long.
 Data: <&#216;WV &#246;           > D8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CB6CAAE060, 16 bytes long.
 Data: <P V &#246;           > 50 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CB6CAAE330, 16 bytes long.
 Data: <0 V &#246;           > 30 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CB6CAAEE70, 16 bytes long.
 Data: <&#224; V &#246;           > E0 02 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CB6CAAE740, 16 bytes long.
 Data: <  V &#246;           > 10 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CB6CAAE830, 16 bytes long.
 Data: <p V &#246;           > 70 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001CB6CAAE970, 16 bytes long.
 Data: < &#192;T &#246;           > 18 C0 54 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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