Task 38682879

Name test_265-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8375_0
Workunit 31624470
Created 27 Oct 2026, 9:30:01 UTC
Sent 27 Oct 2026, 9:30:05 UTC
Report deadline 1 Nov 2026, 9:30:05 UTC
Received 27 Oct 2026, 10:03:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585486
Run time 32 min 25 sec
CPU time 29 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.30 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:31:31 (29204): wrapper (7.9.26016): starting
04:31:31 (29204): 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
04:31:33 (29204): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:31:33 (29204): 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\14\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\14\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
05:02:41 (29204): C:/Windows/system32/cmd.exe exited; CPU time 1777.078125
05:02:41 (29204): 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: 41336709 bytes.
Dumping objects ->
{3835265} normal block at 0x0000017FBC7FD0D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000017FBAB94980, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000017FBAB948A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x0000017FBAB94910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000017FBAB94830, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x0000017FBC845370, 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) : {3835177} normal block at 0x0000017FBAB8FD50, 8 bytes long.
 Data: <   &#187;    > 00 00 18 BB 7F 01 00 00 
{3833963} normal block at 0x0000017FBAB906B0, 8 bytes long.
 Data: <&#208;F&#138;&#188;    > D0 46 8A BC 7F 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000017FBAB90900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017FBAB7F150, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000017FBAB96240, 16 bytes long.
 Data: <&#216;e&#185;&#186;            > D8 65 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017FBAB95430, 16 bytes long.
 Data: <&#176;e&#185;&#186;            > B0 65 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017FBAB8F1C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000017FBAB961A0, 16 bytes long.
 Data: < e&#185;&#186;            > 88 65 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017FBAB96060, 16 bytes long.
 Data: <`e&#185;&#186;            > 60 65 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017FBAB95520, 16 bytes long.
 Data: <8e&#185;&#186;            > 38 65 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017FBAB95840, 16 bytes long.
 Data: < e&#185;&#186;            > 10 65 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017FBAB946E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000017FBAB96010, 16 bytes long.
 Data: <h &#184;&#186;            > 68 8D B8 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017FBAB8EAA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000017FBAB95610, 16 bytes long.
 Data: <@ &#184;&#186;            > 40 8D B8 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017FBAB95FC0, 16 bytes long.
 Data: <  &#184;&#186;            > 18 8D B8 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017FBAB95A70, 16 bytes long.
 Data: <&#240;&#140;&#184;&#186;            > F0 8C B8 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017FBAB95F20, 16 bytes long.
 Data: <&#200;&#140;&#184;&#186;            > C8 8C B8 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017FBAB953E0, 16 bytes long.
 Data: <&#160;&#140;&#184;&#186;            > A0 8C B8 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017FBAB95ED0, 16 bytes long.
 Data: <x&#140;&#184;&#186;            > 78 8C B8 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017FBAB8E980, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000017FBAB95750, 16 bytes long.
 Data: <P&#140;&#184;&#186;            > 50 8C B8 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017FBAB88C50, 320 bytes long.
 Data: <PW&#185;&#186;     &#233;&#184;&#186;    > 50 57 B9 BA 7F 01 00 00 80 E9 B8 BA 7F 01 00 00 
{277} normal block at 0x0000017FBAB95660, 16 bytes long.
 Data: <&#240;d&#185;&#186;            > F0 64 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017FBAB957F0, 16 bytes long.
 Data: <&#200;d&#185;&#186;            > C8 64 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017FBAB8F040, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000017FBAB95A20, 16 bytes long.
 Data: <&#160;d&#185;&#186;            > A0 64 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017FBAB8EE00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000017FBAB95B10, 16 bytes long.
 Data: <&#232;c&#185;&#186;            > E8 63 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017FBAB95F70, 16 bytes long.
 Data: <&#192;c&#185;&#186;            > C0 63 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017FBAB95700, 16 bytes long.
 Data: < c&#185;&#186;            > 98 63 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017FBAB957A0, 16 bytes long.
 Data: <pc&#185;&#186;            > 70 63 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017FBAB95C50, 16 bytes long.
 Data: <Hc&#185;&#186;            > 48 63 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017FBAB95DE0, 16 bytes long.
 Data: < c&#185;&#186;            > 20 63 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017FBAB95D90, 16 bytes long.
 Data: <&#240;I&#185;&#186;            > F0 49 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017FBAB949F0, 40 bytes long.
 Data: < ]&#185;&#186;    pS&#132;&#188;    > 90 5D B9 BA 7F 01 00 00 70 53 84 BC 7F 01 00 00 
{263} normal block at 0x0000017FBAB95E80, 16 bytes long.
 Data: < c&#185;&#186;            > 00 63 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017FBAB95AC0, 16 bytes long.
 Data: <&#216;b&#185;&#186;            > D8 62 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017FBAB8F520, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000017FBAB95CF0, 16 bytes long.
 Data: <&#176;b&#185;&#186;            > B0 62 B9 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017FBAB962B0, 992 bytes long.
 Data: <&#240;\&#185;&#186;     &#245;&#184;&#186;    > F0 5C B9 BA 7F 01 00 00 20 F5 B8 BA 7F 01 00 00 
{95} normal block at 0x0000017FBAB8F3A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000017FBAB8FF80, 16 bytes long.
 Data: <&#192;&#212;&#183;&#186;            > C0 D4 B7 BA 7F 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000017FBAB7D4C0, 40 bytes long.
 Data: < &#255;&#184;&#186;    &#160;&#243;&#184;&#186;    > 80 FF B8 BA 7F 01 00 00 A0 F3 B8 BA 7F 01 00 00 
{72} normal block at 0x0000017FBAB8F9E0, 16 bytes long.
 Data: < &#234;&#150;&#195;&#246;           > 80 EA 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017FBAB8FD00, 16 bytes long.
 Data: <@&#233;&#150;&#195;&#246;           > 40 E9 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017FBAB90700, 16 bytes long.
 Data: <&#248;W&#147;&#195;&#246;           > F8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017FBAB90430, 16 bytes long.
 Data: <&#216;W&#147;&#195;&#246;           > D8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017FBAB8FA30, 16 bytes long.
 Data: <P &#147;&#195;&#246;           > 50 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017FBAB8FAD0, 16 bytes long.
 Data: <0 &#147;&#195;&#246;           > 30 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017FBAB90250, 16 bytes long.
 Data: <&#224; &#147;&#195;&#246;           > E0 02 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017FBAB90390, 16 bytes long.
 Data: <  &#147;&#195;&#246;           > 10 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017FBAB8FF30, 16 bytes long.
 Data: <p &#147;&#195;&#246;           > 70 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017FBAB90340, 16 bytes long.
 Data: < &#192;&#145;&#195;&#246;           > 18 C0 91 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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