Task 38664025

Name test_721-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND5509_0
Workunit 31607201
Created 24 Oct 2026, 23:06:15 UTC
Sent 24 Oct 2026, 23:06:19 UTC
Report deadline 29 Oct 2026, 23:06:19 UTC
Received 25 Oct 2026, 1:04:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549972
Run time 55 min 45 sec
CPU time 51 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,466.33 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 642.80 MB
Peak swap size 5.24 GB
Peak disk usage 4.06 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:21:45 (5444): wrapper (7.9.26016): starting
16:21:45 (5444): 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
16:21:48 (5444): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:21:48 (5444): 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:\Test\BOINC\ProgramData\slots\5\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:\Test\BOINC\ProgramData\slots\5\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
17:14:17 (5444): C:/Windows/system32/cmd.exe exited; CPU time 3107.859375
17:14:17 (5444): called boinc_finish(0)
0 bytes in 0 Free Blocks.
592 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: 36602483 bytes.
Dumping objects ->
{3835225} normal block at 0x00000165E7EDB820, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835214} normal block at 0x00000165E62EFED0, 48 bytes long.
 Data: <HOME=C:\Test\BOI> 48 4F 4D 45 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835203} normal block at 0x00000165E62EFCA0, 48 bytes long.
 Data: <TMP=C:\Test\BOIN> 54 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 4E 
{3835192} normal block at 0x00000165E62EFA00, 48 bytes long.
 Data: <TEMP=C:\Test\BOI> 54 45 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835181} normal block at 0x00000165E62EF990, 48 bytes long.
 Data: <TMPDIR=C:\Test\B> 54 4D 50 44 49 52 3D 43 3A 5C 54 65 73 74 5C 42 
{3835150} normal block at 0x00000165E7EDBF20, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835139} normal block at 0x00000165E7FC5D60, 160 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) : {3835136} normal block at 0x00000165E62E6530, 8 bytes long.
 Data: <  *&#230;e   > 00 00 2A E6 65 01 00 00 
{3834541} normal block at 0x00000165E7FC59E0, 160 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 0x00000165E62E6C60, 8 bytes long.
 Data: < l&#252;&#231;e   > 00 6C FC E7 65 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000165E62F0280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000165E62DAC00, 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 0x00000165E62F1A90, 16 bytes long.
 Data: <&#184;9/&#230;e           > B8 39 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000165E62F1A40, 16 bytes long.
 Data: < 9/&#230;e           > 90 39 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000165E62ECCC0, 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 0x00000165E62F1BD0, 16 bytes long.
 Data: <h9/&#230;e           > 68 39 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000165E62F19A0, 16 bytes long.
 Data: <@9/&#230;e           > 40 39 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000165E62F1950, 16 bytes long.
 Data: < 9/&#230;e           > 18 39 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000165E62F1900, 16 bytes long.
 Data: <&#240;8/&#230;e           > F0 38 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000165E62EFF40, 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 0x00000165E62F1720, 16 bytes long.
 Data: <&#168;&#188;-&#230;e           > A8 BC 2D E6 65 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000165E62ED440, 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 0x00000165E62F1540, 16 bytes long.
 Data: < &#188;-&#230;e           > 80 BC 2D E6 65 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000165E62F1D10, 16 bytes long.
 Data: <X&#188;-&#230;e           > 58 BC 2D E6 65 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000165E62F1CC0, 16 bytes long.
 Data: <0&#188;-&#230;e           > 30 BC 2D E6 65 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000165E62F18B0, 16 bytes long.
 Data: < &#188;-&#230;e           > 08 BC 2D E6 65 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000165E62F2120, 16 bytes long.
 Data: <&#224;&#187;-&#230;e           > E0 BB 2D E6 65 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000165E62F2030, 16 bytes long.
 Data: <&#184;&#187;-&#230;e           > B8 BB 2D E6 65 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000165E62ED620, 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 0x00000165E62F1360, 16 bytes long.
 Data: < &#187;-&#230;e           > 90 BB 2D E6 65 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000165E62DBB90, 320 bytes long.
 Data: <` /&#230;e    &#214;.&#230;e   > 60 13 2F E6 65 01 00 00 20 D6 2E E6 65 01 00 00 
{273} normal block at 0x00000165E62F1860, 16 bytes long.
 Data: <&#208;8/&#230;e           > D0 38 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000165E62F1F40, 16 bytes long.
 Data: <&#168;8/&#230;e           > A8 38 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000165E62ED020, 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 0x00000165E62F1770, 16 bytes long.
 Data: < 8/&#230;e           > 80 38 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000165E62ECA20, 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 0x00000165E62F1810, 16 bytes long.
 Data: <&#200;7/&#230;e           > C8 37 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000165E62F19F0, 16 bytes long.
 Data: <&#160;7/&#230;e           > A0 37 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000165E62F14A0, 16 bytes long.
 Data: <x7/&#230;e           > 78 37 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000165E62F12C0, 16 bytes long.
 Data: <P7/&#230;e           > 50 37 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000165E62F1FE0, 16 bytes long.
 Data: <(7/&#230;e           > 28 37 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000165E62F1450, 16 bytes long.
 Data: < 7/&#230;e           > 00 37 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000165E62F1C70, 16 bytes long.
 Data: <0&#252;.&#230;e           > 30 FC 2E E6 65 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000165E62EFC30, 40 bytes long.
 Data: <p /&#230;e    &#191;&#237;&#231;e   > 70 1C 2F E6 65 01 00 00 20 BF ED E7 65 01 00 00 
{259} normal block at 0x00000165E62F2170, 16 bytes long.
 Data: <&#224;6/&#230;e           > E0 36 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000165E62F17C0, 16 bytes long.
 Data: <&#184;6/&#230;e           > B8 36 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000165E62ED740, 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 0x00000165E62F1EF0, 16 bytes long.
 Data: < 6/&#230;e           > 90 36 2F E6 65 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000165E62F3690, 992 bytes long.
 Data: <&#240; /&#230;e   @&#215;.&#230;e   > F0 1E 2F E6 65 01 00 00 40 D7 2E E6 65 01 00 00 
{91} normal block at 0x00000165E62ED320, 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 0x00000165E62E6580, 16 bytes long.
 Data: <P&#251;.&#230;e           > 50 FB 2E E6 65 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000165E62EFB50, 40 bytes long.
 Data: < e.&#230;e    &#211;.&#230;e   > 80 65 2E E6 65 01 00 00 20 D3 2E E6 65 01 00 00 
{68} normal block at 0x00000165E62E7480, 16 bytes long.
 Data: < &#234;&#253;u&#247;           > 80 EA FD 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000165E62E7430, 16 bytes long.
 Data: <@&#233;&#253;u&#247;           > 40 E9 FD 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000165E62E70C0, 16 bytes long.
 Data: <&#248;W&#250;u&#247;           > F8 57 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000165E62E6F80, 16 bytes long.
 Data: <&#216;W&#250;u&#247;           > D8 57 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000165E62E7390, 16 bytes long.
 Data: <P &#250;u&#247;           > 50 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000165E62E66C0, 16 bytes long.
 Data: <0 &#250;u&#247;           > 30 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000165E62E7340, 16 bytes long.
 Data: <&#224; &#250;u&#247;           > E0 02 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000165E62E6760, 16 bytes long.
 Data: <  &#250;u&#247;           > 10 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000165E62E72A0, 16 bytes long.
 Data: <p &#250;u&#247;           > 70 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000165E62E6620, 16 bytes long.
 Data: < &#192;&#248;u&#247;           > 18 C0 F8 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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