Task 38687892

Name test_581-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND3939_0
Workunit 31629263
Created 28 Oct 2026, 10:21:55 UTC
Sent 28 Oct 2026, 10:21:57 UTC
Report deadline 2 Nov 2026, 10:21:57 UTC
Received 28 Oct 2026, 10:51:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609517
Run time 28 min 19 sec
CPU time 27 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.89 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:23:10 (46960): wrapper (7.9.26016): starting
11:23:10 (46960): 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
11:23:11 (46960): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:23:11 (46960): 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\19\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\19\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
11:50:59 (46960): C:/Windows/system32/cmd.exe exited; CPU time 1661.843750
11:50:59 (46960): 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: 30807289 bytes.
Dumping objects ->
{3835277} normal block at 0x000001483EF3F9D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000001483EF3FA40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000001483EF3F6C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000001483EF3F650, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001483D217780, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000001483EF89020, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001483EFA0CD0, 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) : {3835188} normal block at 0x000001483D210C30, 8 bytes long.
 Data: <  a=H   > 00 00 61 3D 48 01 00 00 
{3834564} normal block at 0x000001483EFA0960, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001483D2108C0, 8 bytes long.
 Data: < _ ?H   > 00 5F 01 3F 48 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001483D212E30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001483D207C90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001483D217C00, 16 bytes long.
 Data: <x&#139;!=H           > 78 8B 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001483D218240, 16 bytes long.
 Data: <P&#139;!=H           > 50 8B 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001483D211060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001483D218790, 16 bytes long.
 Data: <(&#139;!=H           > 28 8B 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001483D218470, 16 bytes long.
 Data: < &#139;!=H           > 00 8B 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001483D2179D0, 16 bytes long.
 Data: <&#216;&#138;!=H           > D8 8A 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001483D2178E0, 16 bytes long.
 Data: <&#176;&#138;!=H           > B0 8A 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001483D217160, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001483D217C50, 16 bytes long.
 Data: <H&#168; =H           > 48 A8 20 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001483D211300, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001483D2181A0, 16 bytes long.
 Data: < &#168; =H           > 20 A8 20 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001483D218150, 16 bytes long.
 Data: <&#248;&#167; =H           > F8 A7 20 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001483D217F70, 16 bytes long.
 Data: <&#208;&#167; =H           > D0 A7 20 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001483D218600, 16 bytes long.
 Data: <&#168;&#167; =H           > A8 A7 20 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001483D2181F0, 16 bytes long.
 Data: < &#167; =H           > 80 A7 20 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001483D2182E0, 16 bytes long.
 Data: <X&#167; =H           > 58 A7 20 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001483D211D80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001483D218560, 16 bytes long.
 Data: <0&#167; =H           > 30 A7 20 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001483D20A730, 320 bytes long.
 Data: <`&#133;!=H     !=H   > 60 85 21 3D 48 01 00 00 80 1D 21 3D 48 01 00 00 
{275} normal block at 0x000001483D217890, 16 bytes long.
 Data: < &#138;!=H           > 90 8A 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001483D217F20, 16 bytes long.
 Data: <h&#138;!=H           > 68 8A 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001483D211AE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001483D218740, 16 bytes long.
 Data: <@&#138;!=H           > 40 8A 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001483D2119C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001483D217BB0, 16 bytes long.
 Data: < &#137;!=H           > 88 89 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001483D217FC0, 16 bytes long.
 Data: <`&#137;!=H           > 60 89 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001483D2186F0, 16 bytes long.
 Data: <8&#137;!=H           > 38 89 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001483D217D90, 16 bytes long.
 Data: < &#137;!=H           > 10 89 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001483D218420, 16 bytes long.
 Data: <&#232; !=H           > E8 88 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001483D217E30, 16 bytes long.
 Data: <&#192; !=H           > C0 88 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001483D218100, 16 bytes long.
 Data: <&#176;r!=H           > B0 72 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001483D2172B0, 40 bytes long.
 Data: <  !=H     &#248;>H   > 00 81 21 3D 48 01 00 00 20 90 F8 3E 48 01 00 00 
{261} normal block at 0x000001483D217AC0, 16 bytes long.
 Data: <&#160; !=H           > A0 88 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001483D2187E0, 16 bytes long.
 Data: <x !=H           > 78 88 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001483D211E40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001483D2183D0, 16 bytes long.
 Data: <P !=H           > 50 88 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001483D218850, 992 bytes long.
 Data: <&#208;&#131;!=H   @ !=H   > D0 83 21 3D 48 01 00 00 40 1E 21 3D 48 01 00 00 
{93} normal block at 0x000001483D211960, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001483D210550, 16 bytes long.
 Data: <@r!=H           > 40 72 21 3D 48 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001483D217240, 40 bytes long.
 Data: <P !=H   ` !=H   > 50 05 21 3D 48 01 00 00 60 19 21 3D 48 01 00 00 
{70} normal block at 0x000001483D210BE0, 16 bytes long.
 Data: < &#234;k&#158;&#246;           > 80 EA 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001483D210820, 16 bytes long.
 Data: <@&#233;k&#158;&#246;           > 40 E9 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001483D210230, 16 bytes long.
 Data: <&#248;Wh&#158;&#246;           > F8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001483D210E60, 16 bytes long.
 Data: <&#216;Wh&#158;&#246;           > D8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001483D210CD0, 16 bytes long.
 Data: <P h&#158;&#246;           > 50 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001483D210500, 16 bytes long.
 Data: <0 h&#158;&#246;           > 30 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001483D2104B0, 16 bytes long.
 Data: <&#224; h&#158;&#246;           > E0 02 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001483D210B90, 16 bytes long.
 Data: <  h&#158;&#246;           > 10 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001483D210F00, 16 bytes long.
 Data: <p h&#158;&#246;           > 70 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001483D210460, 16 bytes long.
 Data: < &#192;f&#158;&#246;           > 18 C0 66 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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