Task 38664937

Name test_458-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND1589_0
Workunit 31608060
Created 25 Oct 2026, 0:23:51 UTC
Sent 25 Oct 2026, 0:23:54 UTC
Report deadline 30 Oct 2026, 0:23:54 UTC
Received 25 Oct 2026, 4:18:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609629
Run time 59 min 55 sec
CPU time 52 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,533.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.05 MB
Peak swap size 18.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:19:30 (22396): wrapper (7.9.26016): starting
05:19:30 (22396): 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
05:19:34 (22396): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:19:34 (22396): 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\46\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\46\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
06:17:34 (22396): C:/Windows/system32/cmd.exe exited; CPU time 3163.812500
06:17:34 (22396): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 64824265 bytes.
Dumping objects ->
{3835247} normal block at 0x00000194F9146880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000194F9146CE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x00000194F9146C00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x00000194F91463B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x00000194F9146B90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x00000194FAEA5760, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x00000194FAF031C0, 180 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) : {3835157} normal block at 0x00000194F91176A0, 8 bytes long.
 Data: <   &#249;&#148;   > 00 00 0A F9 94 01 00 00 
{3834550} normal block at 0x00000194FAF03940, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000194F9117420, 8 bytes long.
 Data: <&#128;~&#235;&#250;&#148;   > 80 7E EB FA 94 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000194F911CC40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000194F910AE00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000194F9122040, 16 bytes long.
 Data: <&#184;? &#249;&#148;           > B8 3F 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000194F9121EB0, 16 bytes long.
 Data: <&#144;? &#249;&#148;           > 90 3F 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000194F911D5C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000194F9121A50, 16 bytes long.
 Data: <h? &#249;&#148;           > 68 3F 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000194F91227C0, 16 bytes long.
 Data: <@? &#249;&#148;           > 40 3F 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000194F9121A00, 16 bytes long.
 Data: < ? &#249;&#148;           > 18 3F 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000194F9121E60, 16 bytes long.
 Data: <&#240;> &#249;&#148;           > F0 3E 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000194F911BCF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000194F91222C0, 16 bytes long.
 Data: <H&#188; &#249;&#148;           > 48 BC 10 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000194F911D8C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000194F9122270, 16 bytes long.
 Data: < &#188; &#249;&#148;           > 20 BC 10 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000194F9122360, 16 bytes long.
 Data: <&#248;&#187; &#249;&#148;           > F8 BB 10 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000194F91221D0, 16 bytes long.
 Data: <&#208;&#187; &#249;&#148;           > D0 BB 10 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000194F9121DC0, 16 bytes long.
 Data: <&#168;&#187; &#249;&#148;           > A8 BB 10 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000194F91225E0, 16 bytes long.
 Data: <&#128;&#187; &#249;&#148;           > 80 BB 10 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000194F9121FF0, 16 bytes long.
 Data: <X&#187; &#249;&#148;           > 58 BB 10 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000194F911D500, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000194F9121B90, 16 bytes long.
 Data: <0&#187; &#249;&#148;           > 30 BB 10 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000194F910BB30, 320 bytes long.
 Data: <&#144;  &#249;&#148;    &#213; &#249;&#148;   > 90 1B 12 F9 94 01 00 00 00 D5 11 F9 94 01 00 00 
{269} normal block at 0x00000194F9122720, 16 bytes long.
 Data: <&#208;> &#249;&#148;           > D0 3E 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000194F9122180, 16 bytes long.
 Data: <&#168;> &#249;&#148;           > A8 3E 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000194F911CF60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000194F9122590, 16 bytes long.
 Data: <&#128;> &#249;&#148;           > 80 3E 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000194F911D3E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000194F9121D70, 16 bytes long.
 Data: <&#200;= &#249;&#148;           > C8 3D 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000194F9121D20, 16 bytes long.
 Data: <&#160;= &#249;&#148;           > A0 3D 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000194F91218C0, 16 bytes long.
 Data: <x= &#249;&#148;           > 78 3D 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000194F9122450, 16 bytes long.
 Data: <P= &#249;&#148;           > 50 3D 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000194F9122130, 16 bytes long.
 Data: <(= &#249;&#148;           > 28 3D 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000194F9121F50, 16 bytes long.
 Data: < = &#249;&#148;           > 00 3D 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000194F9121CD0, 16 bytes long.
 Data: <&#176;&#190; &#249;&#148;           > B0 BE 11 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000194F911BEB0, 40 bytes long.
 Data: <&#208;  &#249;&#148;   `W&#234;&#250;&#148;   > D0 1C 12 F9 94 01 00 00 60 57 EA FA 94 01 00 00 
{255} normal block at 0x00000194F91220E0, 16 bytes long.
 Data: <&#224;< &#249;&#148;           > E0 3C 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000194F9121B40, 16 bytes long.
 Data: <&#184;< &#249;&#148;           > B8 3C 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000194F911D020, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000194F9122680, 16 bytes long.
 Data: <&#144;< &#249;&#148;           > 90 3C 12 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000194F9123C90, 992 bytes long.
 Data: <&#128;& &#249;&#148;    &#208; &#249;&#148;   > 80 26 12 F9 94 01 00 00 20 D0 11 F9 94 01 00 00 
{87} normal block at 0x00000194F911CEA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000194F91179C0, 16 bytes long.
 Data: <&#192;&#186; &#249;&#148;           > C0 BA 11 F9 94 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000194F911BAC0, 40 bytes long.
 Data: <&#192;y &#249;&#148;   &#160;&#206; &#249;&#148;   > C0 79 11 F9 94 01 00 00 A0 CE 11 F9 94 01 00 00 
{64} normal block at 0x00000194F9117510, 16 bytes long.
 Data: <&#128;&#234;0&#208;&#247;           > 80 EA 30 D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000194F9117740, 16 bytes long.
 Data: <@&#233;0&#208;&#247;           > 40 E9 30 D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000194F9117290, 16 bytes long.
 Data: <&#248;W-&#208;&#247;           > F8 57 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000194F9117600, 16 bytes long.
 Data: <&#216;W-&#208;&#247;           > D8 57 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000194F9116E30, 16 bytes long.
 Data: <P -&#208;&#247;           > 50 04 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000194F9117970, 16 bytes long.
 Data: <0 -&#208;&#247;           > 30 04 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000194F9116CF0, 16 bytes long.
 Data: <&#224; -&#208;&#247;           > E0 02 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000194F9117B50, 16 bytes long.
 Data: <  -&#208;&#247;           > 10 04 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000194F9116FC0, 16 bytes long.
 Data: <p -&#208;&#247;           > 70 04 2D D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000194F91171F0, 16 bytes long.
 Data: < &#192;+&#208;&#247;           > 18 C0 2B D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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