Task 38663071

Name test_141-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND3776_0
Workunit 31606303
Created 24 Oct 2026, 21:15:19 UTC
Sent 24 Oct 2026, 21:15:35 UTC
Report deadline 29 Oct 2026, 21:15:35 UTC
Received 25 Oct 2026, 0:19:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636749
Run time 50 min 41 sec
CPU time 47 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 37,942.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.19 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:28:22 (121860): wrapper (7.9.26016): starting
19:28:22 (121860): 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
19:28:24 (121860): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:28:24 (121860): 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\2\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\2\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
20:18:01 (121860): C:/Windows/system32/cmd.exe exited; CPU time 2841.234375
20:18:01 (121860): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 72139973 bytes.
Dumping objects ->
{3835220} normal block at 0x0000026BC8D12A00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000026BC8D12990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000026BC8D12920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x0000026BC8D12840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x0000026BC8D12A70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x0000026BCA94A800, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835134} normal block at 0x0000026BCA989590, 160 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) : {3835131} normal block at 0x0000026BC8D0C950, 8 bytes long.
 Data: <  &#204;&#200;k   > 00 00 CC C8 6B 02 00 00 
{3834534} normal block at 0x0000026BCA9899F0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000026BC8D0CB80, 8 bytes long.
 Data: <&#224;U&#158;&#202;k   > E0 55 9E CA 6B 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000026BC8D0EE20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026BC8D05D90, 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 0x0000026BC8D13610, 16 bytes long.
 Data: <xE&#209;&#200;k           > 78 45 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026BC8D12E90, 16 bytes long.
 Data: <PE&#209;&#200;k           > 50 45 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026BC8D0D750, 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 0x0000026BC8D135C0, 16 bytes long.
 Data: <(E&#209;&#200;k           > 28 45 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026BC8D13B10, 16 bytes long.
 Data: < E&#209;&#200;k           > 00 45 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026BC8D13520, 16 bytes long.
 Data: <&#216;D&#209;&#200;k           > D8 44 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026BC8D130C0, 16 bytes long.
 Data: <&#176;D&#209;&#200;k           > B0 44 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026BC8D12D80, 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 0x0000026BC8D13CF0, 16 bytes long.
 Data: <&#200;&#236;&#207;&#200;k           > C8 EC CF C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026BC8D0DED0, 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 0x0000026BC8D13D40, 16 bytes long.
 Data: <&#160;&#236;&#207;&#200;k           > A0 EC CF C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026BC8D13430, 16 bytes long.
 Data: <x&#236;&#207;&#200;k           > 78 EC CF C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026BC8D13700, 16 bytes long.
 Data: <P&#236;&#207;&#200;k           > 50 EC CF C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026BC8D134D0, 16 bytes long.
 Data: <(&#236;&#207;&#200;k           > 28 EC CF C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026BC8D13890, 16 bytes long.
 Data: < &#236;&#207;&#200;k           > 00 EC CF C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026BC8D136B0, 16 bytes long.
 Data: <&#216;&#235;&#207;&#200;k           > D8 EB CF C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026BC8D0DBD0, 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 0x0000026BC8D13AC0, 16 bytes long.
 Data: <&#176;&#235;&#207;&#200;k           > B0 EB CF C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026BC8CFEBB0, 320 bytes long.
 Data: <&#192;:&#209;&#200;k   &#208;&#219;&#208;&#200;k   > C0 3A D1 C8 6B 02 00 00 D0 DB D0 C8 6B 02 00 00 
{270} normal block at 0x0000026BC8D13480, 16 bytes long.
 Data: < D&#209;&#200;k           > 90 44 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026BC8D13110, 16 bytes long.
 Data: <hD&#209;&#200;k           > 68 44 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026BC8D0D690, 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 0x0000026BC8D13B60, 16 bytes long.
 Data: <@D&#209;&#200;k           > 40 44 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026BC8D0DC90, 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 0x0000026BC8D13DE0, 16 bytes long.
 Data: < C&#209;&#200;k           > 88 43 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026BC8D132F0, 16 bytes long.
 Data: <`C&#209;&#200;k           > 60 43 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026BC8D13C00, 16 bytes long.
 Data: <8C&#209;&#200;k           > 38 43 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026BC8D13A70, 16 bytes long.
 Data: < C&#209;&#200;k           > 10 43 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026BC8D13570, 16 bytes long.
 Data: <&#232;B&#209;&#200;k           > E8 42 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026BC8D13D90, 16 bytes long.
 Data: <&#192;B&#209;&#200;k           > C0 42 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026BC8D13660, 16 bytes long.
 Data: < -&#209;&#200;k           > 10 2D D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026BC8D12D10, 40 bytes long.
 Data: <`6&#209;&#200;k    &#168;&#148;&#202;k   > 60 36 D1 C8 6B 02 00 00 00 A8 94 CA 6B 02 00 00 
{256} normal block at 0x0000026BC8D13070, 16 bytes long.
 Data: <&#160;B&#209;&#200;k           > A0 42 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000026BC8D13930, 16 bytes long.
 Data: <xB&#209;&#200;k           > 78 42 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000026BC8D0D4B0, 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 0x0000026BC8D132A0, 16 bytes long.
 Data: <PB&#209;&#200;k           > 50 42 D1 C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000026BC8D14250, 992 bytes long.
 Data: <&#160;2&#209;&#200;k   &#176;&#212;&#208;&#200;k   > A0 32 D1 C8 6B 02 00 00 B0 D4 D0 C8 6B 02 00 00 
{88} normal block at 0x0000026BC8D0DA50, 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 0x0000026BC8D0CFE0, 16 bytes long.
 Data: <@&#235;&#207;&#200;k           > 40 EB CF C8 6B 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000026BC8CFEB40, 40 bytes long.
 Data: <&#224;&#207;&#208;&#200;k   P&#218;&#208;&#200;k   > E0 CF D0 C8 6B 02 00 00 50 DA D0 C8 6B 02 00 00 
{65} normal block at 0x0000026BC8D0CA40, 16 bytes long.
 Data: < &#234;D&#196;&#247;           > 80 EA 44 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026BC8D0CB30, 16 bytes long.
 Data: <@&#233;D&#196;&#247;           > 40 E9 44 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026BC8D0D080, 16 bytes long.
 Data: <&#248;WA&#196;&#247;           > F8 57 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026BC8D0CE00, 16 bytes long.
 Data: <&#216;WA&#196;&#247;           > D8 57 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026BC8D0CAE0, 16 bytes long.
 Data: <P A&#196;&#247;           > 50 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026BC8D0CEF0, 16 bytes long.
 Data: <0 A&#196;&#247;           > 30 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026BC8D0C450, 16 bytes long.
 Data: <&#224; A&#196;&#247;           > E0 02 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000026BC8D0CA90, 16 bytes long.
 Data: <  A&#196;&#247;           > 10 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000026BC8D0CC20, 16 bytes long.
 Data: <p A&#196;&#247;           > 70 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000026BC8D0C540, 16 bytes long.
 Data: < &#192;?&#196;&#247;           > 18 C0 3F C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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