Task 38668063

Name test_166-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND4596_0
Workunit 31610626
Created 25 Oct 2026, 10:31:59 UTC
Sent 25 Oct 2026, 10:32:11 UTC
Report deadline 30 Oct 2026, 10:32:11 UTC
Received 25 Oct 2026, 11:18:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 429162
Run time 45 min 55 sec
CPU time 42 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,278.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.75 MB
Peak swap size 3.85 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:34:16 (10284): wrapper (7.9.26016): starting
11:34:16 (10284): 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
11:34:18 (10284): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:34:18 (10284): 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 'D:\ProgramData\BOINC\slots\4\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 'D:\ProgramData\BOINC\slots\4\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
12:18:25 (10284): C:/Windows/system32/cmd.exe exited; CPU time 2556.375000
12:18:25 (10284): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 42924288 bytes.
Dumping objects ->
{3835280} normal block at 0x0000026E635313A0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x0000026E63531640, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x0000026E635314F0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x0000026E63530D10, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000026E63530DF0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x0000026E6360DB10, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x0000026E6353C3A0, 85 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) : {3835191} normal block at 0x0000026E61A57B00, 8 bytes long.
 Data: <  Tcn   > 00 00 54 63 6E 02 00 00 
{3834566} normal block at 0x0000026E6353CA80, 85 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 0x0000026E61A57BF0, 8 bytes long.
 Data: <p&#182;&#164;an   > 70 B6 A4 61 6E 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000026E61A629B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026E61A4C050, 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 0x0000026E61A64800, 16 bytes long.
 Data: <&#232;O&#166;an           > E8 4F A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026E61A64210, 16 bytes long.
 Data: <&#192;O&#166;an           > C0 4F A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026E61A5D360, 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 0x0000026E61A64710, 16 bytes long.
 Data: < O&#166;an           > 98 4F A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026E61A64670, 16 bytes long.
 Data: <pO&#166;an           > 70 4F A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026E61A63E00, 16 bytes long.
 Data: <HO&#166;an           > 48 4F A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026E61A63A90, 16 bytes long.
 Data: < O&#166;an           > 20 4F A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026E61A5DA80, 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 0x0000026E61A63C70, 16 bytes long.
 Data: <&#232;&#191;&#164;an           > E8 BF A4 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026E61A5C640, 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 0x0000026E61A641C0, 16 bytes long.
 Data: <&#192;&#191;&#164;an           > C0 BF A4 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026E61A64620, 16 bytes long.
 Data: < &#191;&#164;an           > 98 BF A4 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026E61A63DB0, 16 bytes long.
 Data: <p&#191;&#164;an           > 70 BF A4 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026E61A63C20, 16 bytes long.
 Data: <H&#191;&#164;an           > 48 BF A4 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026E61A645D0, 16 bytes long.
 Data: < &#191;&#164;an           > 20 BF A4 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026E61A64120, 16 bytes long.
 Data: <&#248;&#190;&#164;an           > F8 BE A4 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026E61A5CCA0, 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 0x0000026E61A646C0, 16 bytes long.
 Data: <&#208;&#190;&#164;an           > D0 BE A4 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026E61A4BED0, 320 bytes long.
 Data: <&#192;F&#166;an   &#160;&#204;&#165;an   > C0 46 A6 61 6E 02 00 00 A0 CC A5 61 6E 02 00 00 
{275} normal block at 0x0000026E61A64530, 16 bytes long.
 Data: < O&#166;an           > 00 4F A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026E61A63BD0, 16 bytes long.
 Data: <&#216;N&#166;an           > D8 4E A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026E61A5D0C0, 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 0x0000026E61A63D60, 16 bytes long.
 Data: <&#176;N&#166;an           > B0 4E A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026E61A5C8E0, 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 0x0000026E61A64760, 16 bytes long.
 Data: <&#248;M&#166;an           > F8 4D A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026E61A64170, 16 bytes long.
 Data: <&#208;M&#166;an           > D0 4D A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026E61A63900, 16 bytes long.
 Data: <&#168;M&#166;an           > A8 4D A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026E61A64580, 16 bytes long.
 Data: < M&#166;an           > 80 4D A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026E61A63B80, 16 bytes long.
 Data: <XM&#166;an           > 58 4D A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026E61A64030, 16 bytes long.
 Data: <0M&#166;an           > 30 4D A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026E61A644E0, 16 bytes long.
 Data: <&#176;&#213;&#165;an           > B0 D5 A5 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026E61A5D5B0, 40 bytes long.
 Data: <&#224;D&#166;an    &#219;`cn   > E0 44 A6 61 6E 02 00 00 10 DB 60 63 6E 02 00 00 
{261} normal block at 0x0000026E61A63D10, 16 bytes long.
 Data: < M&#166;an           > 10 4D A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026E61A640D0, 16 bytes long.
 Data: <&#232;L&#166;an           > E8 4C A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026E61A5C5E0, 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 0x0000026E61A63950, 16 bytes long.
 Data: <&#192;L&#166;an           > C0 4C A6 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026E61A64CC0, 992 bytes long.
 Data: <P9&#166;an   &#224;&#197;&#165;an   > 50 39 A6 61 6E 02 00 00 E0 C5 A5 61 6E 02 00 00 
{93} normal block at 0x0000026E61A5CB20, 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 0x0000026E61A57EC0, 16 bytes long.
 Data: <&#224;&#215;&#165;an           > E0 D7 A5 61 6E 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000026E61A5D7E0, 40 bytes long.
 Data: <&#192;~&#165;an    &#203;&#165;an   > C0 7E A5 61 6E 02 00 00 20 CB A5 61 6E 02 00 00 
{70} normal block at 0x0000026E61A58500, 16 bytes long.
 Data: < &#234;.E&#247;           > 80 EA 2E 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026E61A57BA0, 16 bytes long.
 Data: <@&#233;.E&#247;           > 40 E9 2E 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026E61A58370, 16 bytes long.
 Data: <&#248;W+E&#247;           > F8 57 2B 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026E61A57A60, 16 bytes long.
 Data: <&#216;W+E&#247;           > D8 57 2B 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026E61A57920, 16 bytes long.
 Data: <P +E&#247;           > 50 04 2B 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026E61A58320, 16 bytes long.
 Data: <0 +E&#247;           > 30 04 2B 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026E61A58550, 16 bytes long.
 Data: <&#224; +E&#247;           > E0 02 2B 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026E61A57830, 16 bytes long.
 Data: <  +E&#247;           > 10 04 2B 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026E61A57AB0, 16 bytes long.
 Data: <p +E&#247;           > 70 04 2B 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026E61A58280, 16 bytes long.
 Data: < &#192;)E&#247;           > 18 C0 29 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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