Task 38687012

Name test_356-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7656_0
Workunit 31628418
Created 28 Oct 2026, 5:31:54 UTC
Sent 28 Oct 2026, 5:32:00 UTC
Report deadline 2 Nov 2026, 5:32:00 UTC
Received 28 Oct 2026, 6:32:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615074
Run time 58 min 48 sec
CPU time 54 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,856.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.80 MB
Peak swap size 11.28 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:34:33 (4752): wrapper (7.9.26016): starting
06:34:33 (4752): 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
06:34:35 (4752): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:34:35 (4752): 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\29\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\29\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
07:31:40 (4752): C:/Windows/system32/cmd.exe exited; CPU time 3246.953125
07:31:40 (4752): 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: 47103557 bytes.
Dumping objects ->
{3835220} normal block at 0x000001E526DA5F50, 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 0x000001E526DA6030, 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 0x000001E526DA5FC0, 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 0x000001E526DA5690, 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 0x000001E526DA6260, 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 0x000001E528AA22D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835132} normal block at 0x000001E526D77B70, 8 bytes long.
 Data: <  &#211;&&#229;   > 00 00 D3 26 E5 01 00 00 
{3833949} normal block at 0x000001E526D77670, 8 bytes long.
 Data: <&#208; &#176;(&#229;   > D0 0D B0 28 E5 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001E526D80D50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E526D65C70, 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 0x000001E526D82AB0, 16 bytes long.
 Data: <&#200;4&#216;&&#229;           > C8 34 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E526D81E80, 16 bytes long.
 Data: <&#160;4&#216;&&#229;           > A0 34 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E526D7DE90, 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 0x000001E526D82560, 16 bytes long.
 Data: <x4&#216;&&#229;           > 78 34 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E526D82A60, 16 bytes long.
 Data: <P4&#216;&&#229;           > 50 34 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E526D81DE0, 16 bytes long.
 Data: <(4&#216;&&#229;           > 28 34 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E526D82290, 16 bytes long.
 Data: < 4&#216;&&#229;           > 00 34 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E526D7C490, 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 0x000001E526D82C90, 16 bytes long.
 Data: < \&#214;&&#229;           > 08 5C D6 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E526D7E1F0, 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 0x000001E526D82380, 16 bytes long.
 Data: <&#224;[&#214;&&#229;           > E0 5B D6 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E526D81F70, 16 bytes long.
 Data: <&#184;[&#214;&&#229;           > B8 5B D6 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E526D821F0, 16 bytes long.
 Data: < [&#214;&&#229;           > 90 5B D6 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E526D82010, 16 bytes long.
 Data: <h[&#214;&&#229;           > 68 5B D6 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E526D822E0, 16 bytes long.
 Data: <@[&#214;&&#229;           > 40 5B D6 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E526D82920, 16 bytes long.
 Data: < [&#214;&&#229;           > 18 5B D6 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E526D7DAD0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x000001E526D82B50, 16 bytes long.
 Data: <&#240;Z&#214;&&#229;           > F0 5A D6 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E526D65AF0, 320 bytes long.
 Data: <P+&#216;&&#229;   &#208;&#218;&#215;&&#229;   > 50 2B D8 26 E5 01 00 00 D0 DA D7 26 E5 01 00 00 
{270} normal block at 0x000001E526D82D30, 16 bytes long.
 Data: <&#224;3&#216;&&#229;           > E0 33 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E526D82330, 16 bytes long.
 Data: <&#184;3&#216;&&#229;           > B8 33 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E526D7D7D0, 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 0x000001E526D827E0, 16 bytes long.
 Data: < 3&#216;&&#229;           > 90 33 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E526D7D710, 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 0x000001E526D82CE0, 16 bytes long.
 Data: <&#216;2&#216;&&#229;           > D8 32 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E526D81E30, 16 bytes long.
 Data: <&#176;2&#216;&&#229;           > B0 32 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E526D82790, 16 bytes long.
 Data: < 2&#216;&&#229;           > 88 32 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E526D82BA0, 16 bytes long.
 Data: <`2&#216;&&#229;           > 60 32 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E526D82740, 16 bytes long.
 Data: <82&#216;&&#229;           > 38 32 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E526D829C0, 16 bytes long.
 Data: < 2&#216;&&#229;           > 10 32 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E526D820B0, 16 bytes long.
 Data: <&#208;&#194;&#215;&&#229;           > D0 C2 D7 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E526D7C2D0, 40 bytes long.
 Data: <&#176; &#216;&&#229;   &#208;"&#170;(&#229;   > B0 20 D8 26 E5 01 00 00 D0 22 AA 28 E5 01 00 00 
{256} normal block at 0x000001E526D82470, 16 bytes long.
 Data: <&#240;1&#216;&&#229;           > F0 31 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E526D826A0, 16 bytes long.
 Data: <&#200;1&#216;&&#229;           > C8 31 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001E526D7D6B0, 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 0x000001E526D81ED0, 16 bytes long.
 Data: <&#160;1&#216;&&#229;           > A0 31 D8 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001E526D831A0, 992 bytes long.
 Data: <&#208; &#216;&&#229;   &#176;&#214;&#215;&&#229;   > D0 1E D8 26 E5 01 00 00 B0 D6 D7 26 E5 01 00 00 
{88} normal block at 0x000001E526D7DEF0, 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 0x000001E526D77800, 16 bytes long.
 Data: < &#193;&#215;&&#229;           > 10 C1 D7 26 E5 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001E526D7C110, 40 bytes long.
 Data: < x&#215;&&#229;   &#240;&#222;&#215;&&#229;   > 00 78 D7 26 E5 01 00 00 F0 DE D7 26 E5 01 00 00 
{65} normal block at 0x000001E526D773A0, 16 bytes long.
 Data: < &#234;&#206; &#246;           > 80 EA CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E526D77990, 16 bytes long.
 Data: <@&#233;&#206; &#246;           > 40 E9 CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E526D77D00, 16 bytes long.
 Data: <&#248;W&#203; &#246;           > F8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E526D77620, 16 bytes long.
 Data: <&#216;W&#203; &#246;           > D8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E526D77350, 16 bytes long.
 Data: <P &#203; &#246;           > 50 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E526D773F0, 16 bytes long.
 Data: <0 &#203; &#246;           > 30 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E526D77210, 16 bytes long.
 Data: <&#224; &#203; &#246;           > E0 02 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E526D77AD0, 16 bytes long.
 Data: <  &#203; &#246;           > 10 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E526D77C60, 16 bytes long.
 Data: <p &#203; &#246;           > 70 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001E526D77FD0, 16 bytes long.
 Data: < &#192;&#201; &#246;           > 18 C0 C9 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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