Task 38661659

Name test_554-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND1864_1
Workunit 31604539
Created 24 Oct 2026, 16:05:41 UTC
Sent 24 Oct 2026, 16:11:51 UTC
Report deadline 29 Oct 2026, 16:11:51 UTC
Received 25 Oct 2026, 11:19:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 582876
Run time 22 min 45 sec
CPU time 21 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.28 MB
Peak swap size 8.47 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:35:52 (23544): wrapper (7.9.26016): starting
18:35:52 (23544): 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
18:35:53 (23544): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:35:53 (23544): 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 'D:\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 'D:\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
18:57:27 (23544): C:/Windows/system32/cmd.exe exited; CPU time 1280.703125
18:57:27 (23544): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 20215747 bytes.
Dumping objects ->
{3835278} normal block at 0x000001F99953A6E0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001F9995149E0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000001F999514970, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835245} normal block at 0x000001F9995147B0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001F999514740, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835203} normal block at 0x000001F99B28A780, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000001F99B29EEA0, 102 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) : {3835189} normal block at 0x000001F99950D4B0, 8 bytes long.
 Data: <    &#249;   > 00 00 9D 99 F9 01 00 00 
{3834567} normal block at 0x000001F99B29F210, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833962} normal block at 0x000001F99950D370, 8 bytes long.
 Data: < &#228; &#155;&#249;   > 00 E4 0F 9B F9 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F999511400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F999505E60, 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 0x000001F999515CD0, 16 bytes long.
 Data: <xdQ &#249;           > 78 64 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F999515320, 16 bytes long.
 Data: <PdQ &#249;           > 50 64 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F99950F870, 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 0x000001F999516090, 16 bytes long.
 Data: <(dQ &#249;           > 28 64 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F999515FF0, 16 bytes long.
 Data: < dQ &#249;           > 00 64 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F9995160E0, 16 bytes long.
 Data: <&#216;cQ &#249;           > D8 63 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F9995152D0, 16 bytes long.
 Data: <&#176;cQ &#249;           > B0 63 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F999514820, 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 0x000001F999515EB0, 16 bytes long.
 Data: < &#177;O &#249;           > 18 B1 4F 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F99950F0F0, 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 0x000001F999515C30, 16 bytes long.
 Data: <&#240;&#176;O &#249;           > F0 B0 4F 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F999515DC0, 16 bytes long.
 Data: <&#200;&#176;O &#249;           > C8 B0 4F 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F9995153C0, 16 bytes long.
 Data: <&#160;&#176;O &#249;           > A0 B0 4F 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F9995155A0, 16 bytes long.
 Data: <x&#176;O &#249;           > 78 B0 4F 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F999515C80, 16 bytes long.
 Data: <P&#176;O &#249;           > 50 B0 4F 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F999515BE0, 16 bytes long.
 Data: <(&#176;O &#249;           > 28 B0 4F 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F99950F3F0, 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 0x000001F999515820, 16 bytes long.
 Data: < &#176;O &#249;           > 00 B0 4F 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F9994FB000, 320 bytes long.
 Data: < XQ &#249;   &#240;&#243;P &#249;   > 20 58 51 99 F9 01 00 00 F0 F3 50 99 F9 01 00 00 
{274} normal block at 0x000001F9995151E0, 16 bytes long.
 Data: < cQ &#249;           > 90 63 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F999516040, 16 bytes long.
 Data: <hcQ &#249;           > 68 63 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F99950EC70, 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 0x000001F999515280, 16 bytes long.
 Data: <@cQ &#249;           > 40 63 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F99950F090, 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 0x000001F9995159B0, 16 bytes long.
 Data: < bQ &#249;           > 88 62 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F999515F50, 16 bytes long.
 Data: <`bQ &#249;           > 60 62 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F999515410, 16 bytes long.
 Data: <8bQ &#249;           > 38 62 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F999515D20, 16 bytes long.
 Data: < bQ &#249;           > 10 62 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F999515AF0, 16 bytes long.
 Data: <&#232;aQ &#249;           > E8 61 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F999515550, 16 bytes long.
 Data: <&#192;aQ &#249;           > C0 61 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F999515F00, 16 bytes long.
 Data: < LQ &#249;           > 10 4C 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F999514C10, 40 bytes long.
 Data: < _Q &#249;    &#167;(&#155;&#249;   > 00 5F 51 99 F9 01 00 00 80 A7 28 9B F9 01 00 00 
{260} normal block at 0x000001F999515E60, 16 bytes long.
 Data: <&#160;aQ &#249;           > A0 61 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F999515230, 16 bytes long.
 Data: <xaQ &#249;           > 78 61 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F99950EF10, 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 0x000001F999515FA0, 16 bytes long.
 Data: <PaQ &#249;           > 50 61 51 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F999516150, 992 bytes long.
 Data: <&#160;_Q &#249;    &#239;P &#249;   > A0 5F 51 99 F9 01 00 00 10 EF 50 99 F9 01 00 00 
{92} normal block at 0x000001F99950EDF0, 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 0x000001F99950D960, 16 bytes long.
 Data: <P&#219;O &#249;           > 50 DB 4F 99 F9 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F9994FDB50, 40 bytes long.
 Data: <`&#217;P &#249;   &#240;&#237;P &#249;   > 60 D9 50 99 F9 01 00 00 F0 ED 50 99 F9 01 00 00 
{69} normal block at 0x000001F99950D230, 16 bytes long.
 Data: < &#234;J&#170;&#246;           > 80 EA 4A AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F99950D1E0, 16 bytes long.
 Data: <@&#233;J&#170;&#246;           > 40 E9 4A AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F99950D190, 16 bytes long.
 Data: <&#248;WG&#170;&#246;           > F8 57 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F99950DC80, 16 bytes long.
 Data: <&#216;WG&#170;&#246;           > D8 57 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F99950D460, 16 bytes long.
 Data: <P G&#170;&#246;           > 50 04 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F99950D500, 16 bytes long.
 Data: <0 G&#170;&#246;           > 30 04 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F99950D0F0, 16 bytes long.
 Data: <&#224; G&#170;&#246;           > E0 02 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F99950D550, 16 bytes long.
 Data: <  G&#170;&#246;           > 10 04 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F99950DD20, 16 bytes long.
 Data: <p G&#170;&#246;           > 70 04 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F99950D910, 16 bytes long.
 Data: < &#192;E&#170;&#246;           > 18 C0 45 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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