Task 38685915

Name test_134-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND7648_0
Workunit 31627368
Created 27 Oct 2026, 23:39:10 UTC
Sent 27 Oct 2026, 23:39:13 UTC
Report deadline 1 Nov 2026, 23:39:13 UTC
Received 27 Oct 2026, 23:54:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626084
Run time 13 min 31 sec
CPU time 11 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.72 MB
Peak swap size 13.15 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:40:03 (20820): wrapper (7.9.26016): starting
00:40:03 (20820): 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
00:40:04 (20820): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:40:04 (20820): 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
00:53:00 (20820): C:/Windows/system32/cmd.exe exited; CPU time 717.156250
00:53:00 (20820): 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: 10743217 bytes.
Dumping objects ->
{3835237} normal block at 0x000001F9553CE660, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001F9553CE5F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000001F9553CE580, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x000001F9553CE820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000001F9537959E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x000001F955419290, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x000001F95542FE20, 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) : {3835148} normal block at 0x000001F95378EAD0, 8 bytes long.
 Data: <  tS&#249;   > 00 00 74 53 F9 01 00 00 
{3834544} normal block at 0x000001F95542FAB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001F95378EA80, 8 bytes long.
 Data: < RyS&#249;   > 20 52 79 53 F9 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F953792520, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F953787560, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001F9537972E0, 16 bytes long.
 Data: <&#232;yyS&#249;           > E8 79 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F953797150, 16 bytes long.
 Data: <&#192;yyS&#249;           > C0 79 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F95378FC90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001F9537973D0, 16 bytes long.
 Data: < yyS&#249;           > 98 79 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F953796F20, 16 bytes long.
 Data: <pyyS&#249;           > 70 79 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F953796980, 16 bytes long.
 Data: <HyyS&#249;           > 48 79 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F953796D40, 16 bytes long.
 Data: < yyS&#249;           > 20 79 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F953795AC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001F953796CF0, 16 bytes long.
 Data: <&#216;ayS&#249;           > D8 61 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F95378FD50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001F953797560, 16 bytes long.
 Data: <&#176;ayS&#249;           > B0 61 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F953797510, 16 bytes long.
 Data: < ayS&#249;           > 88 61 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F953797290, 16 bytes long.
 Data: <`ayS&#249;           > 60 61 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F953797010, 16 bytes long.
 Data: <8ayS&#249;           > 38 61 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F9537974C0, 16 bytes long.
 Data: < ayS&#249;           > 10 61 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F953797650, 16 bytes long.
 Data: <&#232;`yS&#249;           > E8 60 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F9537903B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001F953796D90, 16 bytes long.
 Data: <&#192;`yS&#249;           > C0 60 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F9537960C0, 320 bytes long.
 Data: < myS&#249;   &#176; yS&#249;   > 90 6D 79 53 F9 01 00 00 B0 03 79 53 F9 01 00 00 
{277} normal block at 0x000001F953797380, 16 bytes long.
 Data: < yyS&#249;           > 00 79 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F953796C50, 16 bytes long.
 Data: <&#216;xyS&#249;           > D8 78 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F953790230, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001F953796E80, 16 bytes long.
 Data: <&#176;xyS&#249;           > B0 78 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F95378FDB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001F953796DE0, 16 bytes long.
 Data: <&#248;wyS&#249;           > F8 77 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F953796B60, 16 bytes long.
 Data: <&#208;wyS&#249;           > D0 77 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F953797330, 16 bytes long.
 Data: <&#168;wyS&#249;           > A8 77 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F953796A70, 16 bytes long.
 Data: < wyS&#249;           > 80 77 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F953796ED0, 16 bytes long.
 Data: <XwyS&#249;           > 58 77 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F953796CA0, 16 bytes long.
 Data: <0wyS&#249;           > 30 77 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F953797100, 16 bytes long.
 Data: <&#240;\yS&#249;           > F0 5C 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F953795CF0, 40 bytes long.
 Data: < qyS&#249;    &#146;AU&#249;   > 00 71 79 53 F9 01 00 00 90 92 41 55 F9 01 00 00 
{263} normal block at 0x000001F953797240, 16 bytes long.
 Data: < wyS&#249;           > 10 77 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F953796C00, 16 bytes long.
 Data: <&#232;vyS&#249;           > E8 76 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F953790050, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001F9537967A0, 16 bytes long.
 Data: <&#192;vyS&#249;           > C0 76 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F9537976C0, 992 bytes long.
 Data: <&#160;gyS&#249;   P yS&#249;   > A0 67 79 53 F9 01 00 00 50 00 79 53 F9 01 00 00 
{95} normal block at 0x000001F95378FBD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001F95378EE40, 16 bytes long.
 Data: < YyS&#249;           > 00 59 79 53 F9 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001F953795900, 40 bytes long.
 Data: <@&#238;xS&#249;   &#208;&#251;xS&#249;   > 40 EE 78 53 F9 01 00 00 D0 FB 78 53 F9 01 00 00 
{72} normal block at 0x000001F95378EA30, 16 bytes long.
 Data: < &#234;&#201;{&#247;           > 80 EA C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F95378E6C0, 16 bytes long.
 Data: <@&#233;&#201;{&#247;           > 40 E9 C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F95378EF80, 16 bytes long.
 Data: <&#248;W&#198;{&#247;           > F8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F95378E210, 16 bytes long.
 Data: <&#216;W&#198;{&#247;           > D8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F95378EEE0, 16 bytes long.
 Data: <P &#198;{&#247;           > 50 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F95378E990, 16 bytes long.
 Data: <0 &#198;{&#247;           > 30 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F95378E940, 16 bytes long.
 Data: <&#224; &#198;{&#247;           > E0 02 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F95378E080, 16 bytes long.
 Data: <  &#198;{&#247;           > 10 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F95378E1C0, 16 bytes long.
 Data: <p &#198;{&#247;           > 70 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F95378E350, 16 bytes long.
 Data: < &#192;&#196;{&#247;           > 18 C0 C4 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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