Task 38670723

Name test_719-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND6674_1
Workunit 31612940
Created 25 Oct 2026, 18:24:38 UTC
Sent 25 Oct 2026, 18:24:41 UTC
Report deadline 30 Oct 2026, 18:24:41 UTC
Received 25 Oct 2026, 19:46:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628467
Run time 1 hours 15 min 57 sec
CPU time 1 hours 15 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.16 MB
Peak swap size 12.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:26:43 (11224): wrapper (7.9.26016): starting
11:26:43 (11224): 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
11:26:47 (11224): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:26:47 (11224): 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\4\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\4\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
12:45:38 (11224): C:/Windows/system32/cmd.exe exited; CPU time 4557.234375
12:45:38 (11224): 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: 59341635 bytes.
Dumping objects ->
{3835553} normal block at 0x000001EA36116830, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x000001EA36116750, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x000001EA361168A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835520} normal block at 0x000001EA361166E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835509} normal block at 0x000001EA36116670, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835478} normal block at 0x000001EA37E798E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x000001EA37E915D0, 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) : {3835464} normal block at 0x000001EA3610F610, 8 bytes long.
 Data: <   6&#234;   > 00 00 0E 36 EA 01 00 00 
{3834683} normal block at 0x000001EA37E91730, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001EA3610E8F0, 8 bytes long.
 Data: <&#208;`&#240;7&#234;   > D0 60 F0 37 EA 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001EA36110FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EA361060D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001EA361174C0, 16 bytes long.
 Data: <h  6&#234;           > 68 81 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EA36117A60, 16 bytes long.
 Data: <@  6&#234;           > 40 81 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EA36110270, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001EA36117510, 16 bytes long.
 Data: <   6&#234;           > 18 81 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EA36117D80, 16 bytes long.
 Data: <&#240;  6&#234;           > F0 80 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EA36117A10, 16 bytes long.
 Data: <&#200;  6&#234;           > C8 80 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EA36117C90, 16 bytes long.
 Data: <&#160;  6&#234;           > A0 80 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EA36116C20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001EA36117BF0, 16 bytes long.
 Data: <&#232;  6&#234;           > E8 8F 10 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EA36110210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001EA36117790, 16 bytes long.
 Data: <&#192;  6&#234;           > C0 8F 10 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EA361177E0, 16 bytes long.
 Data: <   6&#234;           > 98 8F 10 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EA36117CE0, 16 bytes long.
 Data: <p  6&#234;           > 70 8F 10 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EA36117420, 16 bytes long.
 Data: <H  6&#234;           > 48 8F 10 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EA36117100, 16 bytes long.
 Data: <   6&#234;           > 20 8F 10 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EA36117DD0, 16 bytes long.
 Data: <&#248;&#142; 6&#234;           > F8 8E 10 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EA3610FEB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001EA361176F0, 16 bytes long.
 Data: <&#208;&#142; 6&#234;           > D0 8E 10 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EA36108ED0, 320 bytes long.
 Data: <&#240;v 6&#234;   &#176;&#254; 6&#234;   > F0 76 11 36 EA 01 00 00 B0 FE 10 36 EA 01 00 00 
{273} normal block at 0x000001EA36117970, 16 bytes long.
 Data: <   6&#234;           > 80 80 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EA36117880, 16 bytes long.
 Data: <X  6&#234;           > 58 80 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EA3610F7F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001EA361172E0, 16 bytes long.
 Data: <0  6&#234;           > 30 80 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EA3610F850, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001EA36117830, 16 bytes long.
 Data: <x  6&#234;           > 78 7F 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EA36117D30, 16 bytes long.
 Data: <P  6&#234;           > 50 7F 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EA36117150, 16 bytes long.
 Data: <(  6&#234;           > 28 7F 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EA361176A0, 16 bytes long.
 Data: <   6&#234;           > 00 7F 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EA36117290, 16 bytes long.
 Data: <&#216;~ 6&#234;           > D8 7E 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EA36117C40, 16 bytes long.
 Data: <&#176;~ 6&#234;           > B0 7E 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EA361178D0, 16 bytes long.
 Data: < l 6&#234;           > 90 6C 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EA36116C90, 40 bytes long.
 Data: <&#208;x 6&#234;   &#224; &#231;7&#234;   > D0 78 11 36 EA 01 00 00 E0 98 E7 37 EA 01 00 00 
{259} normal block at 0x000001EA36117BA0, 16 bytes long.
 Data: < ~ 6&#234;           > 90 7E 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EA361175B0, 16 bytes long.
 Data: <h~ 6&#234;           > 68 7E 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EA36110150, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001EA36117240, 16 bytes long.
 Data: <@~ 6&#234;           > 40 7E 11 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EA36117E40, 992 bytes long.
 Data: <@r 6&#234;   P  6&#234;   > 40 72 11 36 EA 01 00 00 50 01 11 36 EA 01 00 00 
{91} normal block at 0x000001EA3610FDF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001EA3610ED50, 16 bytes long.
 Data: <&#176;&#229; 6&#234;           > B0 E5 10 36 EA 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001EA3610E5B0, 40 bytes long.
 Data: <P&#237; 6&#234;   &#240;&#253; 6&#234;   > 50 ED 10 36 EA 01 00 00 F0 FD 10 36 EA 01 00 00 
{68} normal block at 0x000001EA3610F340, 16 bytes long.
 Data: < &#234;3&#178;&#247;           > 80 EA 33 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EA3610EEE0, 16 bytes long.
 Data: <@&#233;3&#178;&#247;           > 40 E9 33 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EA3610ED00, 16 bytes long.
 Data: <&#248;W0&#178;&#247;           > F8 57 30 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EA3610E9E0, 16 bytes long.
 Data: <&#216;W0&#178;&#247;           > D8 57 30 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EA3610F0C0, 16 bytes long.
 Data: <P 0&#178;&#247;           > 50 04 30 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EA3610F1B0, 16 bytes long.
 Data: <0 0&#178;&#247;           > 30 04 30 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EA3610E940, 16 bytes long.
 Data: <&#224; 0&#178;&#247;           > E0 02 30 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EA3610EF30, 16 bytes long.
 Data: <  0&#178;&#247;           > 10 04 30 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EA3610E990, 16 bytes long.
 Data: <p 0&#178;&#247;           > 70 04 30 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EA3610EDF0, 16 bytes long.
 Data: < &#192;.&#178;&#247;           > 18 C0 2E B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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