Task 38675873

Name test_780-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND0536_0
Workunit 31617821
Created 26 Oct 2026, 9:35:38 UTC
Sent 26 Oct 2026, 9:35:43 UTC
Report deadline 31 Oct 2026, 9:35:43 UTC
Received 26 Oct 2026, 10:33:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 575233
Run time 29 min 29 sec
CPU time 27 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,247.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.85 MB
Peak swap size 9.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:04:54 (62260): wrapper (7.9.26016): starting
11:04:54 (62260): 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
11:04:56 (62260): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:04:56 (62260): 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
11:33:06 (62260): C:/Windows/system32/cmd.exe exited; CPU time 1656.843750
11:33:06 (62260): 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: 37516855 bytes.
Dumping objects ->
{3835278} normal block at 0x000001C9259377C0, 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 0x000001C9259372F0, 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 0x000001C925865500, 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 0x000001C9258653B0, 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 0x000001C925865420, 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 0x000001C927506A00, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835190} normal block at 0x000001C92585A9D0, 8 bytes long.
 Data: <  &#130;%&#201;   > 00 00 82 25 C9 01 00 00 
{3833975} normal block at 0x000001C92585AA20, 8 bytes long.
 Data: < FV'&#201;   > 00 46 56 27 C9 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000001C925861EE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001C9258567B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x000001C925865F60, 16 bytes long.
 Data: <Xq&#134;%&#201;           > 58 71 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001C925866410, 16 bytes long.
 Data: <0q&#134;%&#201;           > 30 71 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001C92585EF10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x000001C9258667D0, 16 bytes long.
 Data: < q&#134;%&#201;           > 08 71 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C925866370, 16 bytes long.
 Data: <&#224;p&#134;%&#201;           > E0 70 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C925865E70, 16 bytes long.
 Data: <&#184;p&#134;%&#201;           > B8 70 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C9258661E0, 16 bytes long.
 Data: < p&#134;%&#201;           > 90 70 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C9258650A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x000001C925866B90, 16 bytes long.
 Data: <x&#249;&#132;%&#201;           > 78 F9 84 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C92585E910, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x000001C925866AA0, 16 bytes long.
 Data: <P&#249;&#132;%&#201;           > 50 F9 84 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C9258668C0, 16 bytes long.
 Data: <(&#249;&#132;%&#201;           > 28 F9 84 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C925866DC0, 16 bytes long.
 Data: < &#249;&#132;%&#201;           > 00 F9 84 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C925865F10, 16 bytes long.
 Data: <&#216;&#248;&#132;%&#201;           > D8 F8 84 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C925866190, 16 bytes long.
 Data: <&#176;&#248;&#132;%&#201;           > B0 F8 84 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C9258660F0, 16 bytes long.
 Data: < &#248;&#132;%&#201;           > 88 F8 84 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C92585F5D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x000001C925866B40, 16 bytes long.
 Data: <`&#248;&#132;%&#201;           > 60 F8 84 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C92584F860, 320 bytes long.
 Data: <@k&#134;%&#201;   &#208;&#245;&#133;%&#201;   > 40 6B 86 25 C9 01 00 00 D0 F5 85 25 C9 01 00 00 
{283} normal block at 0x000001C925865EC0, 16 bytes long.
 Data: <pp&#134;%&#201;           > 70 70 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C925866870, 16 bytes long.
 Data: <Hp&#134;%&#201;           > 48 70 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C92585E8B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x000001C925866230, 16 bytes long.
 Data: < p&#134;%&#201;           > 20 70 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C92585EEB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x000001C925865FB0, 16 bytes long.
 Data: <ho&#134;%&#201;           > 68 6F 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C925866D70, 16 bytes long.
 Data: <@o&#134;%&#201;           > 40 6F 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C925866D20, 16 bytes long.
 Data: < o&#134;%&#201;           > 18 6F 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C925866320, 16 bytes long.
 Data: <&#240;n&#134;%&#201;           > F0 6E 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C9258662D0, 16 bytes long.
 Data: <&#200;n&#134;%&#201;           > C8 6E 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C9258660A0, 16 bytes long.
 Data: <&#160;n&#134;%&#201;           > A0 6E 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C925866910, 16 bytes long.
 Data: < Q&#134;%&#201;           > 80 51 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C925865180, 40 bytes long.
 Data: < i&#134;%&#201;    jP'&#201;   > 10 69 86 25 C9 01 00 00 00 6A 50 27 C9 01 00 00 
{269} normal block at 0x000001C925866730, 16 bytes long.
 Data: < n&#134;%&#201;           > 80 6E 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C925866000, 16 bytes long.
 Data: <Xn&#134;%&#201;           > 58 6E 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C92585F4B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x000001C925866C30, 16 bytes long.
 Data: <0n&#134;%&#201;           > 30 6E 86 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C925866E30, 992 bytes long.
 Data: <0l&#134;%&#201;   &#176;&#244;&#133;%&#201;   > 30 6C 86 25 C9 01 00 00 B0 F4 85 25 C9 01 00 00 
{101} normal block at 0x000001C92585F3F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x000001C92585B600, 16 bytes long.
 Data: <0&#200;&#132;%&#201;           > 30 C8 84 25 C9 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x000001C92584C830, 40 bytes long.
 Data: < &#182;&#133;%&#201;   &#240;&#243;&#133;%&#201;   > 00 B6 85 25 C9 01 00 00 F0 F3 85 25 C9 01 00 00 
{78} normal block at 0x000001C92585B790, 16 bytes long.
 Data: < &#234;)n&#247;           > 80 EA 29 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001C92585B470, 16 bytes long.
 Data: <@&#233;)n&#247;           > 40 E9 29 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001C92585AC00, 16 bytes long.
 Data: <&#248;W&n&#247;           > F8 57 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001C92585B1F0, 16 bytes long.
 Data: <&#216;W&n&#247;           > D8 57 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001C92585AAC0, 16 bytes long.
 Data: <P &n&#247;           > 50 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001C92585B4C0, 16 bytes long.
 Data: <0 &n&#247;           > 30 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C92585B6F0, 16 bytes long.
 Data: <&#224; &n&#247;           > E0 02 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C92585B3D0, 16 bytes long.
 Data: <  &n&#247;           > 10 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C92585B330, 16 bytes long.
 Data: <p &n&#247;           > 70 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C92585AD40, 16 bytes long.
 Data: < &#192;$n&#247;           > 18 C0 24 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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