Task 38676881

Name test_361-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND9965_0
Workunit 31618772
Created 26 Oct 2026, 12:36:43 UTC
Sent 26 Oct 2026, 12:36:46 UTC
Report deadline 31 Oct 2026, 12:36:46 UTC
Received 26 Oct 2026, 13:25:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 332854
Run time 37 min 27 sec
CPU time 34 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 670.30 MB
Peak swap size 2.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:48:23 (24144): wrapper (7.9.26016): starting
09:48:23 (24144): 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
09:48:25 (24144): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:48:25 (24144): 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
10:25:15 (24144): C:/Windows/system32/cmd.exe exited; CPU time 2063.765625
10:25:15 (24144): 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: 38521267 bytes.
Dumping objects ->
{3835203} normal block at 0x000002123C2068C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000002123C2067E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000002123C206150, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835170} normal block at 0x000002123C206850, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x000002123C206070, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835128} normal block at 0x000002123DE2C140, 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) : {3835115} normal block at 0x000002123C1D7930, 8 bytes long.
 Data: <  &#185;=    > 00 00 B9 3D 12 02 00 00 
{3833949} normal block at 0x000002123C1D77F0, 8 bytes long.
 Data: <0r&#225;=    > 30 72 E1 3D 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002123C1E14E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002123C1E2420, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002123C1E2980, 16 bytes long.
 Data: < < <            > 08 3C 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002123C1E2B60, 16 bytes long.
 Data: <&#224;; <            > E0 3B 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002123C1DEB10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002123C1E2840, 16 bytes long.
 Data: <&#184;; <            > B8 3B 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002123C1E33D0, 16 bytes long.
 Data: < ; <            > 90 3B 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002123C1E3470, 16 bytes long.
 Data: <h; <            > 68 3B 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002123C1E2520, 16 bytes long.
 Data: <@; <            > 40 3B 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002123C1DC520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002123C1E25C0, 16 bytes long.
 Data: <&#184;# <            > B8 23 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002123C1DDDF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002123C1E2930, 16 bytes long.
 Data: < # <            > 90 23 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002123C1E27F0, 16 bytes long.
 Data: <h# <            > 68 23 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002123C1E3060, 16 bytes long.
 Data: <@# <            > 40 23 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002123C1E3380, 16 bytes long.
 Data: < # <            > 18 23 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002123C1E3330, 16 bytes long.
 Data: <&#240;" <            > F0 22 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002123C1E2660, 16 bytes long.
 Data: <&#200;" <            > C8 22 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002123C1DDC10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002123C1E26B0, 16 bytes long.
 Data: <&#160;" <            > A0 22 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002123C1E22A0, 320 bytes long.
 Data: <&#176;& <     &#220; <    > B0 26 1E 3C 12 02 00 00 10 DC 1D 3C 12 02 00 00 
{270} normal block at 0x000002123C1E2E80, 16 bytes long.
 Data: < ; <            > 20 3B 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002123C1E27A0, 16 bytes long.
 Data: <&#248;: <            > F8 3A 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002123C1DDCD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002123C1E31F0, 16 bytes long.
 Data: <&#208;: <            > D0 3A 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002123C1DEAB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002123C1E2DE0, 16 bytes long.
 Data: < : <            > 18 3A 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002123C1E2BB0, 16 bytes long.
 Data: <&#240;9 <            > F0 39 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002123C1E2750, 16 bytes long.
 Data: <&#200;9 <            > C8 39 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002123C1E2D90, 16 bytes long.
 Data: <&#160;9 <            > A0 39 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002123C1E2890, 16 bytes long.
 Data: <x9 <            > 78 39 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002123C1E2570, 16 bytes long.
 Data: <P9 <            > 50 39 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002123C1E2CA0, 16 bytes long.
 Data: <`&#202; <            > 60 CA 1D 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002123C1DCA60, 40 bytes long.
 Data: <&#160;, <    @&#193;&#226;=    > A0 2C 1E 3C 12 02 00 00 40 C1 E2 3D 12 02 00 00 
{256} normal block at 0x000002123C1E2A20, 16 bytes long.
 Data: <09 <            > 30 39 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002123C1E2700, 16 bytes long.
 Data: < 9 <            > 08 39 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002123C1DE570, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002123C1E2610, 16 bytes long.
 Data: <&#224;8 <            > E0 38 1E 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002123C1E38E0, 992 bytes long.
 Data: < & <    p&#229; <    > 10 26 1E 3C 12 02 00 00 70 E5 1D 3C 12 02 00 00 
{88} normal block at 0x000002123C1DEA50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002123C1D7840, 16 bytes long.
 Data: <&#224;&#198; <            > E0 C6 1D 3C 12 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002123C1DC6E0, 40 bytes long.
 Data: <@x <    P&#234; <    > 40 78 1D 3C 12 02 00 00 50 EA 1D 3C 12 02 00 00 
{65} normal block at 0x000002123C1D76B0, 16 bytes long.
 Data: < &#234;&#163;,&#247;           > 80 EA A3 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002123C1D85B0, 16 bytes long.
 Data: <@&#233;&#163;,&#247;           > 40 E9 A3 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002123C1D8560, 16 bytes long.
 Data: <&#248;W&#160;,&#247;           > F8 57 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002123C1D8330, 16 bytes long.
 Data: <&#216;W&#160;,&#247;           > D8 57 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002123C1D7660, 16 bytes long.
 Data: <P &#160;,&#247;           > 50 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002123C1D7B60, 16 bytes long.
 Data: <0 &#160;,&#247;           > 30 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002123C1D79D0, 16 bytes long.
 Data: <&#224; &#160;,&#247;           > E0 02 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002123C1D77A0, 16 bytes long.
 Data: <  &#160;,&#247;           > 10 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002123C1D8060, 16 bytes long.
 Data: <p &#160;,&#247;           > 70 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002123C1D82E0, 16 bytes long.
 Data: < &#192;&#158;,&#247;           > 18 C0 9E 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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