Task 38665879

Name test_276-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND5336_0
Workunit 31608925
Created 25 Oct 2026, 1:42:18 UTC
Sent 25 Oct 2026, 1:52:55 UTC
Report deadline 30 Oct 2026, 1:52:55 UTC
Received 25 Oct 2026, 5:34:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583658
Run time 55 min 8 sec
CPU time 52 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,419.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.57 MB
Peak swap size 3.70 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
00:40:56 (51924): wrapper (7.9.26016): starting
00:40:56 (51924): 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
00:40:58 (51924): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:40:58 (51924): 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\1\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\1\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
01:34:21 (51924): C:/Windows/system32/cmd.exe exited; CPU time 3179.093750
01:34:21 (51924): 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: 72487943 bytes.
Dumping objects ->
{3835315} normal block at 0x000001F793061090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835304} normal block at 0x000001F7930607D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835293} normal block at 0x000001F793060AE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835282} normal block at 0x000001F7930612C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000001F793061020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835240} normal block at 0x000001F79310E3C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001F79316F6F0, 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) : {3835226} normal block at 0x000001F7915598F0, 8 bytes long.
 Data: <  &#240;&#146;&#247;   > 00 00 F0 92 F7 01 00 00 
{3834574} normal block at 0x000001F79316F640, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001F791559080, 8 bytes long.
 Data: <`&#223;Z&#145;&#247;   > 60 DF 5A 91 F7 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001F791563D20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F791564C60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001F791564F40, 16 bytes long.
 Data: <H`V&#145;&#247;           > 48 60 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F7915659E0, 16 bytes long.
 Data: < `V&#145;&#247;           > 20 60 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F791560900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001F791565CB0, 16 bytes long.
 Data: <&#248;_V&#145;&#247;           > F8 5F 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F791565990, 16 bytes long.
 Data: <&#208;_V&#145;&#247;           > D0 5F 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F791565940, 16 bytes long.
 Data: <&#168;_V&#145;&#247;           > A8 5F 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F791564EA0, 16 bytes long.
 Data: < _V&#145;&#247;           > 80 5F 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F79155F4E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001F7915658F0, 16 bytes long.
 Data: <&#248;KV&#145;&#247;           > F8 4B 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F7915602A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001F791564EF0, 16 bytes long.
 Data: <&#208;KV&#145;&#247;           > D0 4B 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F791565AD0, 16 bytes long.
 Data: <&#168;KV&#145;&#247;           > A8 4B 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F791565710, 16 bytes long.
 Data: < KV&#145;&#247;           > 80 4B 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F791565670, 16 bytes long.
 Data: <XKV&#145;&#247;           > 58 4B 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F791565440, 16 bytes long.
 Data: <0KV&#145;&#247;           > 30 4B 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F7915658A0, 16 bytes long.
 Data: < KV&#145;&#247;           > 08 4B 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F791560000, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001F791565580, 16 bytes long.
 Data: <&#224;JV&#145;&#247;           > E0 4A 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F791564AE0, 320 bytes long.
 Data: < UV&#145;&#247;     V&#145;&#247;   > 80 55 56 91 F7 01 00 00 00 00 56 91 F7 01 00 00 
{271} normal block at 0x000001F7915653F0, 16 bytes long.
 Data: <`_V&#145;&#247;           > 60 5F 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F791565760, 16 bytes long.
 Data: <8_V&#145;&#247;           > 38 5F 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F7915606C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001F7915656C0, 16 bytes long.
 Data: < _V&#145;&#247;           > 10 5F 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F7915608A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001F7915654E0, 16 bytes long.
 Data: <X^V&#145;&#247;           > 58 5E 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F791565210, 16 bytes long.
 Data: <0^V&#145;&#247;           > 30 5E 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F791565A80, 16 bytes long.
 Data: < ^V&#145;&#247;           > 08 5E 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F791564E50, 16 bytes long.
 Data: <&#224;]V&#145;&#247;           > E0 5D 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F791564F90, 16 bytes long.
 Data: <&#184;]V&#145;&#247;           > B8 5D 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F791565850, 16 bytes long.
 Data: < ]V&#145;&#247;           > 90 5D 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F791565620, 16 bytes long.
 Data: < &#244;U&#145;&#247;           > 00 F4 55 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F79155F400, 40 bytes long.
 Data: < VV&#145;&#247;   &#192;&#227; &#147;&#247;   > 20 56 56 91 F7 01 00 00 C0 E3 10 93 F7 01 00 00 
{257} normal block at 0x000001F791565350, 16 bytes long.
 Data: <p]V&#145;&#247;           > 70 5D 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F791565800, 16 bytes long.
 Data: <H]V&#145;&#247;           > 48 5D 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F79155FDC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001F791565C60, 16 bytes long.
 Data: < ]V&#145;&#247;           > 20 5D 56 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F791565D20, 992 bytes long.
 Data: <`\V&#145;&#247;   &#192;&#253;U&#145;&#247;   > 60 5C 56 91 F7 01 00 00 C0 FD 55 91 F7 01 00 00 
{89} normal block at 0x000001F791560840, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001F791559440, 16 bytes long.
 Data: < &#243;U&#145;&#247;           > 90 F3 55 91 F7 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001F79155F390, 40 bytes long.
 Data: <@&#148;U&#145;&#247;   @ V&#145;&#247;   > 40 94 55 91 F7 01 00 00 40 08 56 91 F7 01 00 00 
{66} normal block at 0x000001F791559760, 16 bytes long.
 Data: < &#234;&#158;s&#246;           > 80 EA 9E 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F791558F90, 16 bytes long.
 Data: <@&#233;&#158;s&#246;           > 40 E9 9E 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F791558C20, 16 bytes long.
 Data: <&#248;W&#155;s&#246;           > F8 57 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F791558EF0, 16 bytes long.
 Data: <&#216;W&#155;s&#246;           > D8 57 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F7915592B0, 16 bytes long.
 Data: <P &#155;s&#246;           > 50 04 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F791559490, 16 bytes long.
 Data: <0 &#155;s&#246;           > 30 04 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F7915593F0, 16 bytes long.
 Data: <&#224; &#155;s&#246;           > E0 02 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F791559800, 16 bytes long.
 Data: <  &#155;s&#246;           > 10 04 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F791559A80, 16 bytes long.
 Data: <p &#155;s&#246;           > 70 04 9B 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F791559030, 16 bytes long.
 Data: < &#192; s&#246;           > 18 C0 99 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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