Task 38688344

Name test_133-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5151_0
Workunit 31629699
Created 28 Oct 2026, 13:15:20 UTC
Sent 28 Oct 2026, 13:15:23 UTC
Report deadline 2 Nov 2026, 13:15:23 UTC
Received 28 Oct 2026, 13:49:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631341
Run time 32 min 24 sec
CPU time 30 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.51 MB
Peak swap size 14.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:18:30 (25384): wrapper (7.9.26016): starting
14:18:30 (25384): 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
14:18:32 (25384): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:18:32 (25384): 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_GPUGRID\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_GPUGRID\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
14:49:06 (25384): C:/Windows/system32/cmd.exe exited; CPU time 1844.031250
14:49:06 (25384): called boinc_finish(0)
0 bytes in 0 Free Blocks.
632 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: 27551693 bytes.
Dumping objects ->
{3835309} normal block at 0x000002ACEEAA6080, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835298} normal block at 0x000002ACECC76970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x000002ACECC769E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835276} normal block at 0x000002ACECC767B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000002ACECC76900, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835234} normal block at 0x000002ACEEAA5E00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000002ACECCA03F0, 180 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) : {3835220} normal block at 0x000002ACECC6EE60, 8 bytes long.
 Data: <   &#237;&#172;   > 00 00 0E ED AC 02 00 00 
{3834594} normal block at 0x000002ACECCA1110, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002ACECC6EE10, 8 bytes long.
 Data: <`&#231;&#155;&#238;&#172;   > 60 E7 9B EE AC 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002ACECC72650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002ACECC67E30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002ACECC77050, 16 bytes long.
 Data: <( &#199;&#236;&#172;           > 28 7F C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002ACECC77230, 16 bytes long.
 Data: <  &#199;&#236;&#172;           > 00 7F C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002ACECC70640, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002ACECC77870, 16 bytes long.
 Data: <&#216;~&#199;&#236;&#172;           > D8 7E C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002ACECC77A50, 16 bytes long.
 Data: <&#176;~&#199;&#236;&#172;           > B0 7E C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002ACECC773C0, 16 bytes long.
 Data: < ~&#199;&#236;&#172;           > 88 7E C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002ACECC77730, 16 bytes long.
 Data: <`~&#199;&#236;&#172;           > 60 7E C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002ACECC76AC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002ACECC76FB0, 16 bytes long.
 Data: <  &#198;&#236;&#172;           > 18 06 C6 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002ACECC711E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002ACECC77820, 16 bytes long.
 Data: <&#240; &#198;&#236;&#172;           > F0 05 C6 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002ACECC77190, 16 bytes long.
 Data: <&#200; &#198;&#236;&#172;           > C8 05 C6 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002ACECC76EC0, 16 bytes long.
 Data: <&#160; &#198;&#236;&#172;           > A0 05 C6 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002ACECC77320, 16 bytes long.
 Data: <x &#198;&#236;&#172;           > 78 05 C6 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002ACECC76E20, 16 bytes long.
 Data: <P &#198;&#236;&#172;           > 50 05 C6 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002ACECC774B0, 16 bytes long.
 Data: <( &#198;&#236;&#172;           > 28 05 C6 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002ACECC70FA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002ACECC76DD0, 16 bytes long.
 Data: <  &#198;&#236;&#172;           > 00 05 C6 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002ACECC60500, 320 bytes long.
 Data: <&#208;m&#199;&#236;&#172;   &#160; &#199;&#236;&#172;   > D0 6D C7 EC AC 02 00 00 A0 0F C7 EC AC 02 00 00 
{276} normal block at 0x000002ACECC77690, 16 bytes long.
 Data: <@~&#199;&#236;&#172;           > 40 7E C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002ACECC77910, 16 bytes long.
 Data: < ~&#199;&#236;&#172;           > 18 7E C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002ACECC70C40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002ACECC76D30, 16 bytes long.
 Data: <&#240;}&#199;&#236;&#172;           > F0 7D C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002ACECC70520, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002ACECC775F0, 16 bytes long.
 Data: <8}&#199;&#236;&#172;           > 38 7D C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002ACECC77AF0, 16 bytes long.
 Data: < }&#199;&#236;&#172;           > 10 7D C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002ACECC77460, 16 bytes long.
 Data: <&#232;|&#199;&#236;&#172;           > E8 7C C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002ACECC76E70, 16 bytes long.
 Data: <&#192;|&#199;&#236;&#172;           > C0 7C C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002ACECC76C90, 16 bytes long.
 Data: < |&#199;&#236;&#172;           > 98 7C C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002ACECC76C40, 16 bytes long.
 Data: <p|&#199;&#236;&#172;           > 70 7C C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002ACECC771E0, 16 bytes long.
 Data: <0k&#199;&#236;&#172;           > 30 6B C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002ACECC76B30, 40 bytes long.
 Data: <&#224;q&#199;&#236;&#172;    ^&#170;&#238;&#172;   > E0 71 C7 EC AC 02 00 00 00 5E AA EE AC 02 00 00 
{262} normal block at 0x000002ACECC76F60, 16 bytes long.
 Data: <P|&#199;&#236;&#172;           > 50 7C C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002ACECC77780, 16 bytes long.
 Data: <(|&#199;&#236;&#172;           > 28 7C C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002ACECC70760, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002ACECC76D80, 16 bytes long.
 Data: < |&#199;&#236;&#172;           > 00 7C C7 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002ACECC77C00, 992 bytes long.
 Data: < m&#199;&#236;&#172;   ` &#199;&#236;&#172;   > 80 6D C7 EC AC 02 00 00 60 07 C7 EC AC 02 00 00 
{94} normal block at 0x000002ACECC712A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002ACECC6E9B0, 16 bytes long.
 Data: <&#192;&#233;&#197;&#236;&#172;           > C0 E9 C5 EC AC 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002ACECC5E9C0, 40 bytes long.
 Data: <&#176;&#233;&#198;&#236;&#172;   &#160; &#199;&#236;&#172;   > B0 E9 C6 EC AC 02 00 00 A0 12 C7 EC AC 02 00 00 
{71} normal block at 0x000002ACECC6E730, 16 bytes long.
 Data: < &#234;u4&#246;           > 80 EA 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002ACECC6E5F0, 16 bytes long.
 Data: <@&#233;u4&#246;           > 40 E9 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002ACECC6EFF0, 16 bytes long.
 Data: <&#248;Wr4&#246;           > F8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002ACECC6E6E0, 16 bytes long.
 Data: <&#216;Wr4&#246;           > D8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002ACECC6F360, 16 bytes long.
 Data: <P r4&#246;           > 50 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002ACECC6EB90, 16 bytes long.
 Data: <0 r4&#246;           > 30 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002ACECC6EA50, 16 bytes long.
 Data: <&#224; r4&#246;           > E0 02 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002ACECC6ED20, 16 bytes long.
 Data: <  r4&#246;           > 10 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002ACECC6EF50, 16 bytes long.
 Data: <p r4&#246;           > 70 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002ACECC6EDC0, 16 bytes long.
 Data: < &#192;p4&#246;           > 18 C0 70 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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