Task 38684808

Name test_524-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND3977_1
Workunit 31621283
Created 27 Oct 2026, 18:05:31 UTC
Sent 27 Oct 2026, 18:05:36 UTC
Report deadline 1 Nov 2026, 18:05:36 UTC
Received 27 Oct 2026, 19:22:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651345
Run time 19 min 6 sec
CPU time 18 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.68 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:00:05 (9504): wrapper (7.9.26016): starting
14:00:05 (9504): 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
14:00:06 (9504): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:00:06 (9504): 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
14:18:37 (9504): C:/Windows/system32/cmd.exe exited; CPU time 1118.937500
14:18:37 (9504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 13521171 bytes.
Dumping objects ->
{3835567} normal block at 0x000002A6FFB83C90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x000002A6FFB83BB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835545} normal block at 0x000002A6FFB83B40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835534} normal block at 0x000002A6FFB83A60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835523} normal block at 0x000002A6FFB838A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835492} normal block at 0x000002A681AA6470, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000002A6819BEDA0, 235 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) : {3835478} normal block at 0x000002A6FFB7E1C0, 8 bytes long.
 Data: <  &#135; &#166;   > 00 00 87 81 A6 02 00 00 
{3834701} normal block at 0x000002A6819BEED0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000002A6FFB7DC70, 8 bytes long.
 Data: < &#214;&#182;&#255;&#166;   > 20 D6 B6 FF A6 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002A6FFB7FC40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A6FFB757E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000002A6FFB84930, 16 bytes long.
 Data: <HT&#184;&#255;&#166;           > 48 54 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A6FFB84160, 16 bytes long.
 Data: < T&#184;&#255;&#166;           > 20 54 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A6FFB7ECB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000002A6FFB84AC0, 16 bytes long.
 Data: <&#248;S&#184;&#255;&#166;           > F8 53 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A6FFB848E0, 16 bytes long.
 Data: <&#208;S&#184;&#255;&#166;           > D0 53 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A6FFB847A0, 16 bytes long.
 Data: <&#168;S&#184;&#255;&#166;           > A8 53 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A6FFB84890, 16 bytes long.
 Data: < S&#184;&#255;&#166;           > 80 53 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A6FFB785E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000002A6FFB84B60, 16 bytes long.
 Data: <x&#133;&#183;&#255;&#166;           > 78 85 B7 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A6FFB7EE90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000002A6FFB84CF0, 16 bytes long.
 Data: <P&#133;&#183;&#255;&#166;           > 50 85 B7 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A6FFB84570, 16 bytes long.
 Data: <(&#133;&#183;&#255;&#166;           > 28 85 B7 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A6FFB84840, 16 bytes long.
 Data: < &#133;&#183;&#255;&#166;           > 00 85 B7 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A6FFB847F0, 16 bytes long.
 Data: <&#216;&#132;&#183;&#255;&#166;           > D8 84 B7 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A6FFB846B0, 16 bytes long.
 Data: <&#176;&#132;&#183;&#255;&#166;           > B0 84 B7 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A6FFB84430, 16 bytes long.
 Data: < &#132;&#183;&#255;&#166;           > 88 84 B7 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A6FFB7EF50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000002A6FFB844D0, 16 bytes long.
 Data: <`&#132;&#183;&#255;&#166;           > 60 84 B7 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A6FFB78460, 320 bytes long.
 Data: <&#208;D&#184;&#255;&#166;   P&#239;&#183;&#255;&#166;   > D0 44 B8 FF A6 02 00 00 50 EF B7 FF A6 02 00 00 
{272} normal block at 0x000002A6FFB843E0, 16 bytes long.
 Data: <`S&#184;&#255;&#166;           > 60 53 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A6FFB84F70, 16 bytes long.
 Data: <8S&#184;&#255;&#166;           > 38 53 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A6FFB7F3D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000002A6FFB84660, 16 bytes long.
 Data: < S&#184;&#255;&#166;           > 10 53 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A6FFB7F8B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000002A6FFB84D90, 16 bytes long.
 Data: <XR&#184;&#255;&#166;           > 58 52 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A6FFB84DE0, 16 bytes long.
 Data: <0R&#184;&#255;&#166;           > 30 52 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A6FFB84E80, 16 bytes long.
 Data: < R&#184;&#255;&#166;           > 08 52 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A6FFB84750, 16 bytes long.
 Data: <&#224;Q&#184;&#255;&#166;           > E0 51 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A6FFB84980, 16 bytes long.
 Data: <&#184;Q&#184;&#255;&#166;           > B8 51 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A6FFB84340, 16 bytes long.
 Data: < Q&#184;&#255;&#166;           > 90 51 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A6FFB85010, 16 bytes long.
 Data: <p&#216;&#183;&#255;&#166;           > 70 D8 B7 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A6FFB7D870, 40 bytes long.
 Data: < P&#184;&#255;&#166;   pd&#170; &#166;   > 10 50 B8 FF A6 02 00 00 70 64 AA 81 A6 02 00 00 
{258} normal block at 0x000002A6FFB84700, 16 bytes long.
 Data: <pQ&#184;&#255;&#166;           > 70 51 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002A6FFB84D40, 16 bytes long.
 Data: <HQ&#184;&#255;&#166;           > 48 51 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A6FFB7EC50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000002A6FFB84610, 16 bytes long.
 Data: < Q&#184;&#255;&#166;           > 20 51 B8 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002A6FFB85120, 992 bytes long.
 Data: < F&#184;&#255;&#166;   P&#236;&#183;&#255;&#166;   > 10 46 B8 FF A6 02 00 00 50 EC B7 FF A6 02 00 00 
{90} normal block at 0x000002A6FFB7F310, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002A6FFB7E490, 16 bytes long.
 Data: <&#160;&#175;&#182;&#255;&#166;           > A0 AF B6 FF A6 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002A6FFB6AFA0, 40 bytes long.
 Data: < &#228;&#183;&#255;&#166;    &#243;&#183;&#255;&#166;   > 90 E4 B7 FF A6 02 00 00 10 F3 B7 FF A6 02 00 00 
{67} normal block at 0x000002A6FFB7E030, 16 bytes long.
 Data: < &#234; &#174;&#246;           > 80 EA 1A AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A6FFB7E2B0, 16 bytes long.
 Data: <@&#233; &#174;&#246;           > 40 E9 1A AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A6FFB7E3F0, 16 bytes long.
 Data: <&#248;W &#174;&#246;           > F8 57 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A6FFB7E7B0, 16 bytes long.
 Data: <&#216;W &#174;&#246;           > D8 57 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A6FFB7DB80, 16 bytes long.
 Data: <P  &#174;&#246;           > 50 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A6FFB7DD60, 16 bytes long.
 Data: <0  &#174;&#246;           > 30 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A6FFB7DC20, 16 bytes long.
 Data: <&#224;  &#174;&#246;           > E0 02 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A6FFB7E580, 16 bytes long.
 Data: <   &#174;&#246;           > 10 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002A6FFB7DE50, 16 bytes long.
 Data: <p  &#174;&#246;           > 70 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002A6FFB7DBD0, 16 bytes long.
 Data: < &#192; &#174;&#246;           > 18 C0 15 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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