Task 38676203

Name test_564-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND8186_0
Workunit 31618131
Created 26 Oct 2026, 10:34:49 UTC
Sent 26 Oct 2026, 10:34:52 UTC
Report deadline 31 Oct 2026, 10:34:52 UTC
Received 26 Oct 2026, 11:59:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654842
Run time 40 min 42 sec
CPU time 39 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.29 MB
Peak swap size 11.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:17:02 (11156): wrapper (7.9.26016): starting
13:17:02 (11156): 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
13:17:04 (11156): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:17:04 (11156): 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 'E:\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 'E:\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
13:57:03 (11156): C:/Windows/system32/cmd.exe exited; CPU time 2364.984375
13:57:03 (11156): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 35840371 bytes.
Dumping objects ->
{3835234} normal block at 0x000001FA175C67B0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001FA175C6EB0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001FA175C6BA0, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000001FA175C6E40, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001FA175C6B30, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000001FA1756BE40, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001FA15A3DF00, 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) : {3835145} normal block at 0x000001FA15956910, 8 bytes long.
 Data: <  &#147; &#250;   > 00 00 93 15 FA 01 00 00 
{3834544} normal block at 0x000001FA15A3DC60, 160 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 0x000001FA15956730, 8 bytes long.
 Data: <&#192;&#195;&#155; &#250;   > C0 C3 9B 15 FA 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001FA1595FDE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FA1594A750, 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 0x000001FA15961A50, 16 bytes long.
 Data: <h5&#150; &#250;           > 68 35 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FA15961AA0, 16 bytes long.
 Data: <@5&#150; &#250;           > 40 35 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FA1595CC20, 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 0x000001FA15960F60, 16 bytes long.
 Data: < 5&#150; &#250;           > 18 35 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FA159619B0, 16 bytes long.
 Data: <&#240;4&#150; &#250;           > F0 34 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FA15961960, 16 bytes long.
 Data: <&#200;4&#150; &#250;           > C8 34 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FA15961C30, 16 bytes long.
 Data: <&#160;4&#150; &#250;           > A0 34 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FA1595B100, 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 0x000001FA15961780, 16 bytes long.
 Data: <&#232;&#192;&#149; &#250;           > E8 C0 95 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FA1595CA40, 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 0x000001FA15961A00, 16 bytes long.
 Data: <&#192;&#192;&#149; &#250;           > C0 C0 95 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FA15961410, 16 bytes long.
 Data: < &#192;&#149; &#250;           > 98 C0 95 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FA15961190, 16 bytes long.
 Data: <p&#192;&#149; &#250;           > 70 C0 95 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FA159610F0, 16 bytes long.
 Data: <H&#192;&#149; &#250;           > 48 C0 95 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FA15961730, 16 bytes long.
 Data: < &#192;&#149; &#250;           > 20 C0 95 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FA15961690, 16 bytes long.
 Data: <&#248;&#191;&#149; &#250;           > F8 BF 95 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FA1595CDA0, 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 0x000001FA15961C80, 16 bytes long.
 Data: <&#208;&#191;&#149; &#250;           > D0 BF 95 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FA1595BFD0, 320 bytes long.
 Data: <  &#150; &#250;   &#160;&#205;&#149; &#250;   > 80 1C 96 15 FA 01 00 00 A0 CD 95 15 FA 01 00 00 
{269} normal block at 0x000001FA15961640, 16 bytes long.
 Data: < 4&#150; &#250;           > 80 34 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FA159610A0, 16 bytes long.
 Data: <X4&#150; &#250;           > 58 34 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FA1595CE00, 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 0x000001FA15961910, 16 bytes long.
 Data: <04&#150; &#250;           > 30 34 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FA1595C8C0, 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 0x000001FA15961D70, 16 bytes long.
 Data: <x3&#150; &#250;           > 78 33 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FA15961550, 16 bytes long.
 Data: <P3&#150; &#250;           > 50 33 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FA15960EC0, 16 bytes long.
 Data: <(3&#150; &#250;           > 28 33 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FA15961500, 16 bytes long.
 Data: < 3&#150; &#250;           > 00 33 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FA15961820, 16 bytes long.
 Data: <&#216;2&#150; &#250;           > D8 32 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FA15961230, 16 bytes long.
 Data: <&#176;2&#150; &#250;           > B0 32 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FA159617D0, 16 bytes long.
 Data: < &#176;&#149; &#250;           > 20 B0 95 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FA1595B020, 40 bytes long.
 Data: <&#208; &#150; &#250;   @&#190;V &#250;   > D0 17 96 15 FA 01 00 00 40 BE 56 17 FA 01 00 00 
{255} normal block at 0x000001FA159615F0, 16 bytes long.
 Data: < 2&#150; &#250;           > 90 32 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FA159616E0, 16 bytes long.
 Data: <h2&#150; &#250;           > 68 32 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FA1595C620, 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 0x000001FA15961870, 16 bytes long.
 Data: <@2&#150; &#250;           > 40 32 96 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001FA15963240, 992 bytes long.
 Data: <p &#150; &#250;    &#198;&#149; &#250;   > 70 18 96 15 FA 01 00 00 20 C6 95 15 FA 01 00 00 
{87} normal block at 0x000001FA1595D1C0, 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 0x000001FA15956500, 16 bytes long.
 Data: <&#224;&#177;&#149; &#250;           > E0 B1 95 15 FA 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001FA1595B1E0, 40 bytes long.
 Data: < e&#149; &#250;   &#192;&#209;&#149; &#250;   > 00 65 95 15 FA 01 00 00 C0 D1 95 15 FA 01 00 00 
{64} normal block at 0x000001FA159561E0, 16 bytes long.
 Data: < &#234;&#207;&#208;&#247;           > 80 EA CF D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FA15956410, 16 bytes long.
 Data: <@&#233;&#207;&#208;&#247;           > 40 E9 CF D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FA15956DC0, 16 bytes long.
 Data: <&#248;W&#204;&#208;&#247;           > F8 57 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FA15956D70, 16 bytes long.
 Data: <&#216;W&#204;&#208;&#247;           > D8 57 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FA159563C0, 16 bytes long.
 Data: <P &#204;&#208;&#247;           > 50 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FA15956370, 16 bytes long.
 Data: <0 &#204;&#208;&#247;           > 30 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FA15956690, 16 bytes long.
 Data: <&#224; &#204;&#208;&#247;           > E0 02 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FA15956C30, 16 bytes long.
 Data: <  &#204;&#208;&#247;           > 10 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FA15956BE0, 16 bytes long.
 Data: <p &#204;&#208;&#247;           > 70 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001FA15956460, 16 bytes long.
 Data: < &#192;&#202;&#208;&#247;           > 18 C0 CA D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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