Task 38673112

Name test_806-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND8652_0
Workunit 31615215
Created 26 Oct 2026, 1:31:10 UTC
Sent 26 Oct 2026, 1:31:15 UTC
Report deadline 31 Oct 2026, 1:31:15 UTC
Received 26 Oct 2026, 2:08:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652004
Run time 26 min 28 sec
CPU time 24 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.59 MB
Peak swap size 13.01 GB
Peak disk usage 4.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:41:56 (26296): wrapper (7.9.26016): starting
19:41:56 (26296): 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
19:41:57 (26296): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:41:57 (26296): 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\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 'C:\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
20:07:22 (26296): C:/Windows/system32/cmd.exe exited; CPU time 1482.406250
20:07:22 (26296): 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: 9536307 bytes.
Dumping objects ->
{3835257} normal block at 0x000001BB6B3F4650, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000001BB6B3F46C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000001BB6B3F45E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x000001BB6B3F4570, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000001BB6B3F4AB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x000001BB6D153FB0, 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) : {3835169} normal block at 0x000001BB6B3EEC30, 8 bytes long.
 Data: <  &#151;k&#187;   > 00 00 97 6B BB 01 00 00 
{3833955} normal block at 0x000001BB6B3EE7D0, 8 bytes long.
 Data: < &#230;Lk&#187;   > 20 E6 4C 6B BB 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001BB6B3F0BB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BB6B3E5D60, 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 0x000001BB6B3F5BB0, 16 bytes long.
 Data: < V?k&#187;           > 08 56 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BB6B3F5B60, 16 bytes long.
 Data: <&#224;U?k&#187;           > E0 55 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BB6B3EF800, 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 0x000001BB6B3F65B0, 16 bytes long.
 Data: <&#184;U?k&#187;           > B8 55 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BB6B3F6060, 16 bytes long.
 Data: < U?k&#187;           > 90 55 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BB6B3F5AC0, 16 bytes long.
 Data: <hU?k&#187;           > 68 55 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BB6B3F5ED0, 16 bytes long.
 Data: <@U?k&#187;           > 40 55 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BB6B3F4B20, 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 0x000001BB6B3F57A0, 16 bytes long.
 Data: <H >k&#187;           > 48 8F 3E 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BB6B3F0460, 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 0x000001BB6B3F6510, 16 bytes long.
 Data: <  >k&#187;           > 20 8F 3E 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BB6B3F5980, 16 bytes long.
 Data: <&#248;&#142;>k&#187;           > F8 8E 3E 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BB6B3F6150, 16 bytes long.
 Data: <&#208;&#142;>k&#187;           > D0 8E 3E 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BB6B3F6010, 16 bytes long.
 Data: <&#168;&#142;>k&#187;           > A8 8E 3E 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BB6B3F5F70, 16 bytes long.
 Data: < &#142;>k&#187;           > 80 8E 3E 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BB6B3F5A20, 16 bytes long.
 Data: <X&#142;>k&#187;           > 58 8E 3E 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BB6B3EFE60, 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 0x000001BB6B3F62E0, 16 bytes long.
 Data: <0&#142;>k&#187;           > 30 8E 3E 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BB6B3E8E30, 320 bytes long.
 Data: <&#224;b?k&#187;   `&#254;>k&#187;   > E0 62 3F 6B BB 01 00 00 60 FE 3E 6B BB 01 00 00 
{273} normal block at 0x000001BB6B3F5D40, 16 bytes long.
 Data: < U?k&#187;           > 20 55 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BB6B3F59D0, 16 bytes long.
 Data: <&#248;T?k&#187;           > F8 54 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BB6B3EFCE0, 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 0x000001BB6B3F5E80, 16 bytes long.
 Data: <&#208;T?k&#187;           > D0 54 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BB6B3EFF20, 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 0x000001BB6B3F5750, 16 bytes long.
 Data: < T?k&#187;           > 18 54 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BB6B3F5A70, 16 bytes long.
 Data: <&#240;S?k&#187;           > F0 53 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BB6B3F5B10, 16 bytes long.
 Data: <&#200;S?k&#187;           > C8 53 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BB6B3F5D90, 16 bytes long.
 Data: <&#160;S?k&#187;           > A0 53 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BB6B3F5FC0, 16 bytes long.
 Data: <xS?k&#187;           > 78 53 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BB6B3EEBE0, 16 bytes long.
 Data: <PS?k&#187;           > 50 53 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BB6B3EEAA0, 16 bytes long.
 Data: <&#160;G?k&#187;           > A0 47 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BB6B3F47A0, 40 bytes long.
 Data: <&#160;&#234;>k&#187;   &#176;? m&#187;   > A0 EA 3E 6B BB 01 00 00 B0 3F 15 6D BB 01 00 00 
{259} normal block at 0x000001BB6B3EE960, 16 bytes long.
 Data: <0S?k&#187;           > 30 53 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BB6B3EF270, 16 bytes long.
 Data: < S?k&#187;           > 08 53 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001BB6B3EF7A0, 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 0x000001BB6B3EE820, 16 bytes long.
 Data: <&#224;R?k&#187;           > E0 52 3F 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001BB6B3F52E0, 992 bytes long.
 Data: < &#232;>k&#187;   &#160;&#247;>k&#187;   > 20 E8 3E 6B BB 01 00 00 A0 F7 3E 6B BB 01 00 00 
{91} normal block at 0x000001BB6B3F0280, 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 0x000001BB6B3EE780, 16 bytes long.
 Data: <0&#238;=k&#187;           > 30 EE 3D 6B BB 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001BB6B3DEE30, 40 bytes long.
 Data: < &#231;>k&#187;     ?k&#187;   > 80 E7 3E 6B BB 01 00 00 80 02 3F 6B BB 01 00 00 
{68} normal block at 0x000001BB6B3EF130, 16 bytes long.
 Data: < &#234; &#133;&#247;           > 80 EA 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BB6B3EE6E0, 16 bytes long.
 Data: <@&#233; &#133;&#247;           > 40 E9 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BB6B3EEDC0, 16 bytes long.
 Data: <&#248;W&#255;&#132;&#247;           > F8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BB6B3EE910, 16 bytes long.
 Data: <&#216;W&#255;&#132;&#247;           > D8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BB6B3EEE10, 16 bytes long.
 Data: <P &#255;&#132;&#247;           > 50 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BB6B3EE5F0, 16 bytes long.
 Data: <0 &#255;&#132;&#247;           > 30 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BB6B3EEEB0, 16 bytes long.
 Data: <&#224; &#255;&#132;&#247;           > E0 02 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BB6B3EEB90, 16 bytes long.
 Data: <  &#255;&#132;&#247;           > 10 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001BB6B3EE690, 16 bytes long.
 Data: <p &#255;&#132;&#247;           > 70 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001BB6B3EEE60, 16 bytes long.
 Data: < &#192;&#253;&#132;&#247;           > 18 C0 FD 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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