Task 38677003

Name test_711-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND2206_0
Workunit 31618890
Created 26 Oct 2026, 12:57:36 UTC
Sent 26 Oct 2026, 12:57:40 UTC
Report deadline 31 Oct 2026, 12:57:40 UTC
Received 26 Oct 2026, 13:43:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652544
Run time 45 min 6 sec
CPU time 42 min 21 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 714.97 MB
Peak swap size 12.91 GB
Peak disk usage 3.57 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:59:18 (5852): wrapper (7.9.26016): starting
13:59:18 (5852): 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
13:59:20 (5852): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:59:20 (5852): 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\5\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\5\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
14:42:06 (5852): C:/Windows/system32/cmd.exe exited; CPU time 2541.718750
14:42:06 (5852): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 66325355 bytes.
Dumping objects ->
{3835258} normal block at 0x00000186F9E857E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x00000186F9E84F20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000186F9E85B60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x00000186F9E854D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x00000186F9E85150, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x00000186FBBCD050, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x00000186FBB68050, 141 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) : {3835169} normal block at 0x00000186F9E55760, 8 bytes long.
 Data: <  &#150;&#251;&#134;   > 00 00 96 FB 86 01 00 00 
{3834553} normal block at 0x00000186FBB67D10, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000186F9E54FE0, 8 bytes long.
 Data: < &#170;&#228;&#249;&#134;   > 80 AA E4 F9 86 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000186F9E60790, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000186F9E616D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000186F9E618C0, 16 bytes long.
 Data: <&#184;*&#230;&#249;&#134;           > B8 2A E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000186F9E617D0, 16 bytes long.
 Data: < *&#230;&#249;&#134;           > 90 2A E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000186F9E56090, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000186F9E61AA0, 16 bytes long.
 Data: <h*&#230;&#249;&#134;           > 68 2A E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000186F9E62040, 16 bytes long.
 Data: <@*&#230;&#249;&#134;           > 40 2A E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000186F9E61BE0, 16 bytes long.
 Data: < *&#230;&#249;&#134;           > 18 2A E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000186F9E622C0, 16 bytes long.
 Data: <&#240;)&#230;&#249;&#134;           > F0 29 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000186F9E5C640, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000186F9E61F00, 16 bytes long.
 Data: <h &#230;&#249;&#134;           > 68 16 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000186F9E563F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000186F9E61960, 16 bytes long.
 Data: <@ &#230;&#249;&#134;           > 40 16 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000186F9E626D0, 16 bytes long.
 Data: <  &#230;&#249;&#134;           > 18 16 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000186F9E61820, 16 bytes long.
 Data: <&#240; &#230;&#249;&#134;           > F0 15 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000186F9E61B40, 16 bytes long.
 Data: <&#200; &#230;&#249;&#134;           > C8 15 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000186F9E61C80, 16 bytes long.
 Data: <&#160; &#230;&#249;&#134;           > A0 15 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000186F9E61FF0, 16 bytes long.
 Data: <x &#230;&#249;&#134;           > 78 15 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000186F9E56390, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000186F9E62450, 16 bytes long.
 Data: <P &#230;&#249;&#134;           > 50 15 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000186F9E61550, 320 bytes long.
 Data: <P$&#230;&#249;&#134;    c&#229;&#249;&#134;   > 50 24 E6 F9 86 01 00 00 90 63 E5 F9 86 01 00 00 
{269} normal block at 0x00000186F9E61E10, 16 bytes long.
 Data: <&#208;)&#230;&#249;&#134;           > D0 29 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000186F9E61F50, 16 bytes long.
 Data: <&#168;)&#230;&#249;&#134;           > A8 29 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000186F9E56DB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000186F9E61DC0, 16 bytes long.
 Data: < )&#230;&#249;&#134;           > 80 29 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000186F9E56BD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000186F9E61AF0, 16 bytes long.
 Data: <&#200;(&#230;&#249;&#134;           > C8 28 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000186F9E61FA0, 16 bytes long.
 Data: <&#160;(&#230;&#249;&#134;           > A0 28 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000186F9E62220, 16 bytes long.
 Data: <x(&#230;&#249;&#134;           > 78 28 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000186F9E62720, 16 bytes long.
 Data: <P(&#230;&#249;&#134;           > 50 28 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000186F9E61D70, 16 bytes long.
 Data: <((&#230;&#249;&#134;           > 28 28 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000186F9E61910, 16 bytes long.
 Data: < (&#230;&#249;&#134;           > 00 28 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000186F9E621D0, 16 bytes long.
 Data: <&#160;&#195;&#229;&#249;&#134;           > A0 C3 E5 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000186F9E5C3A0, 40 bytes long.
 Data: <&#208;!&#230;&#249;&#134;   P&#208;&#188;&#251;&#134;   > D0 21 E6 F9 86 01 00 00 50 D0 BC FB 86 01 00 00 
{255} normal block at 0x00000186F9E61EB0, 16 bytes long.
 Data: <&#224;'&#230;&#249;&#134;           > E0 27 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000186F9E62310, 16 bytes long.
 Data: <&#184;'&#230;&#249;&#134;           > B8 27 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000186F9E56D50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000186F9E61870, 16 bytes long.
 Data: < '&#230;&#249;&#134;           > 90 27 E6 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000186F9E62790, 992 bytes long.
 Data: <p &#230;&#249;&#134;   Pm&#229;&#249;&#134;   > 70 18 E6 F9 86 01 00 00 50 6D E5 F9 86 01 00 00 
{87} normal block at 0x00000186F9E56C30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000186F9E555D0, 16 bytes long.
 Data: <`&#197;&#229;&#249;&#134;           > 60 C5 E5 F9 86 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000186F9E5C560, 40 bytes long.
 Data: <&#208;U&#229;&#249;&#134;   0l&#229;&#249;&#134;   > D0 55 E5 F9 86 01 00 00 30 6C E5 F9 86 01 00 00 
{64} normal block at 0x00000186F9E55EE0, 16 bytes long.
 Data: < &#234; &#202;&#246;           > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000186F9E55800, 16 bytes long.
 Data: <@&#233; &#202;&#246;           > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000186F9E55DF0, 16 bytes long.
 Data: <&#248;W &#202;&#246;           > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000186F9E55490, 16 bytes long.
 Data: <&#216;W &#202;&#246;           > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000186F9E55BC0, 16 bytes long.
 Data: <P  &#202;&#246;           > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000186F9E559E0, 16 bytes long.
 Data: <0  &#202;&#246;           > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000186F9E55D50, 16 bytes long.
 Data: <&#224;  &#202;&#246;           > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000186F9E55CB0, 16 bytes long.
 Data: <   &#202;&#246;           > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000186F9E55300, 16 bytes long.
 Data: <p  &#202;&#246;           > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000186F9E55530, 16 bytes long.
 Data: < &#192;&#139;&#202;&#246;           > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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