Task 38687473

Name test_965-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND8551_0
Workunit 31628863
Created 28 Oct 2026, 7:59:55 UTC
Sent 28 Oct 2026, 8:00:02 UTC
Report deadline 2 Nov 2026, 8:00:02 UTC
Received 28 Oct 2026, 8:55:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649098
Run time 18 min 44 sec
CPU time 16 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 91,065.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.83 MB
Peak swap size 19.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:37:34 (20024): wrapper (7.9.26016): starting
09:37:34 (20024): 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
09:37:35 (20024): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:37:35 (20024): 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\9\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\9\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
09:55:32 (20024): C:/Windows/system32/cmd.exe exited; CPU time 1013.250000
09:55:32 (20024): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 19607243 bytes.
Dumping objects ->
{3835248} normal block at 0x0000026E8163DAC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x0000026EFF665540, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000026EFF6653F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x0000026EFF665700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000026EFF665A80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x0000026E81686F80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835160} normal block at 0x0000026EFF660080, 8 bytes long.
 Data: <  c&#255;n   > 00 00 63 FF 6E 02 00 00 
{3833957} normal block at 0x0000026EFF6604E0, 8 bytes long.
 Data: < &#215;d&#255;n   > 80 D7 64 FF 6E 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000026EFF6612D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026EFF656430, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000026EFF6665C0, 16 bytes long.
 Data: <&#216;^f&#255;n           > D8 5E 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026EFF666250, 16 bytes long.
 Data: <&#176;^f&#255;n           > B0 5E 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026EFF65F500, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000026EFF666070, 16 bytes long.
 Data: < ^f&#255;n           > 88 5E 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026EFF6666B0, 16 bytes long.
 Data: <`^f&#255;n           > 60 5E 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026EFF6660C0, 16 bytes long.
 Data: <8^f&#255;n           > 38 5E 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026EFF666660, 16 bytes long.
 Data: < ^f&#255;n           > 10 5E 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026EFF665850, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000026EFF666930, 16 bytes long.
 Data: <&#200; e&#255;n           > C8 01 65 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026EFF65F1A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000026EFF666C00, 16 bytes long.
 Data: <&#160; e&#255;n           > A0 01 65 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026EFF666520, 16 bytes long.
 Data: <x e&#255;n           > 78 01 65 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026EFF6668E0, 16 bytes long.
 Data: <P e&#255;n           > 50 01 65 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026EFF666D40, 16 bytes long.
 Data: <( e&#255;n           > 28 01 65 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026EFF666AC0, 16 bytes long.
 Data: <  e&#255;n           > 00 01 65 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026EFF666200, 16 bytes long.
 Data: <&#216; e&#255;n           > D8 00 65 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026EFF65F440, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000026EFF666890, 16 bytes long.
 Data: <&#176; e&#255;n           > B0 00 65 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026EFF6500B0, 320 bytes long.
 Data: < hf&#255;n   @&#244;e&#255;n   > 90 68 66 FF 6E 02 00 00 40 F4 65 FF 6E 02 00 00 
{274} normal block at 0x0000026EFF666840, 16 bytes long.
 Data: <&#240;]f&#255;n           > F0 5D 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026EFF666020, 16 bytes long.
 Data: <&#200;]f&#255;n           > C8 5D 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026EFF65F860, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000026EFF6669D0, 16 bytes long.
 Data: <&#160;]f&#255;n           > A0 5D 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026EFF65FDA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000026EFF6667F0, 16 bytes long.
 Data: <&#232;\f&#255;n           > E8 5C 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026EFF666980, 16 bytes long.
 Data: <&#192;\f&#255;n           > C0 5C 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026EFF666A70, 16 bytes long.
 Data: < \f&#255;n           > 98 5C 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026EFF666610, 16 bytes long.
 Data: <p\f&#255;n           > 70 5C 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026EFF6667A0, 16 bytes long.
 Data: <H\f&#255;n           > 48 5C 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026EFF660440, 16 bytes long.
 Data: < \f&#255;n           > 20 5C 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026EFF660620, 16 bytes long.
 Data: <&#192;Xf&#255;n           > C0 58 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026EFF6658C0, 40 bytes long.
 Data: <  f&#255;n    oh n   > 20 06 66 FF 6E 02 00 00 80 6F 68 81 6E 02 00 00 
{260} normal block at 0x0000026EFF6601C0, 16 bytes long.
 Data: < \f&#255;n           > 00 5C 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026EFF660300, 16 bytes long.
 Data: <&#216;[f&#255;n           > D8 5B 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026EFF65FF20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000026EFF660E90, 16 bytes long.
 Data: <&#176;[f&#255;n           > B0 5B 66 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026EFF665BB0, 992 bytes long.
 Data: <  f&#255;n    &#255;e&#255;n   > 90 0E 66 FF 6E 02 00 00 20 FF 65 FF 6E 02 00 00 
{92} normal block at 0x0000026EFF65F800, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000026EFF6603F0, 16 bytes long.
 Data: <&#240;&#198;d&#255;n           > F0 C6 64 FF 6E 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000026EFF64C6F0, 40 bytes long.
 Data: <&#240; f&#255;n    &#248;e&#255;n   > F0 03 66 FF 6E 02 00 00 00 F8 65 FF 6E 02 00 00 
{69} normal block at 0x0000026EFF660A30, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026EFF660350, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026EFF660DF0, 16 bytes long.
 Data: <&#248;W&#138; &#246;           > F8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026EFF6608F0, 16 bytes long.
 Data: <&#216;W&#138; &#246;           > D8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026EFF6603A0, 16 bytes long.
 Data: <P &#138; &#246;           > 50 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026EFF660120, 16 bytes long.
 Data: <0 &#138; &#246;           > 30 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026EFF660210, 16 bytes long.
 Data: <&#224; &#138; &#246;           > E0 02 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026EFF660530, 16 bytes long.
 Data: <  &#138; &#246;           > 10 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026EFF660EE0, 16 bytes long.
 Data: <p &#138; &#246;           > 70 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026EFF6609E0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 88 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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