Task 38675985

Name test_648-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2779_0
Workunit 31617925
Created 26 Oct 2026, 9:55:00 UTC
Sent 26 Oct 2026, 9:55:09 UTC
Report deadline 31 Oct 2026, 9:55:09 UTC
Received 26 Oct 2026, 11:20:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645746
Run time 42 min 35 sec
CPU time 36 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 664.57 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:38:49 (8164): wrapper (7.9.26016): starting
06:38:49 (8164): 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
06:38:50 (8164): Library/usr/bin/tar.exe exited; CPU time 0.031250
06:38:50 (8164): 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\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\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
07:19:59 (8164): C:/Windows/system32/cmd.exe exited; CPU time 2215.218750
07:19:59 (8164): 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: 41583735 bytes.
Dumping objects ->
{3835188} normal block at 0x00000000005A48E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x00000000005A4B80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x00000000005A4DB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835155} normal block at 0x00000000005A4E90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x00000000005A4D40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835113} normal block at 0x0000000002514090, 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) : {3835100} normal block at 0x000000000059F710, 8 bytes long.
 Data: <  W     > 00 00 57 00 00 00 00 00 
{3833951} normal block at 0x000000000059F760, 8 bytes long.
 Data: <@&#162;\     > 40 A2 5C 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000000005A0AE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000000000596160, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000000005A5D00, 16 bytes long.
 Data: <XWZ             > 58 57 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000000005A5B20, 16 bytes long.
 Data: <0WZ             > 30 57 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000000000059F000, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000000005A5B70, 16 bytes long.
 Data: < WZ             > 08 57 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000000005A6200, 16 bytes long.
 Data: <&#224;VZ             > E0 56 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000000005A6660, 16 bytes long.
 Data: <&#184;VZ             > B8 56 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000000005A58A0, 16 bytes long.
 Data: < VZ             > 90 56 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000000005A4E20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000000005A5BC0, 16 bytes long.
 Data: <(&#255;X             > 28 FF 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000000000059E7C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000000005A6340, 16 bytes long.
 Data: < &#255;X             > 00 FF 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000000005A6750, 16 bytes long.
 Data: <&#216;&#254;X             > D8 FE 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000000005A64D0, 16 bytes long.
 Data: <&#176;&#254;X             > B0 FE 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000000005A5C60, 16 bytes long.
 Data: < &#254;X             > 88 FE 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000000005A60C0, 16 bytes long.
 Data: <`&#254;X             > 60 FE 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000000005A5F80, 16 bytes long.
 Data: <8&#254;X             > 38 FE 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000000000059EDC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000000005A6520, 16 bytes long.
 Data: < &#254;X             > 10 FE 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000000000058FE10, 320 bytes long.
 Data: < eZ     &#192;&#237;Y     > 20 65 5A 00 00 00 00 00 C0 ED 59 00 00 00 00 00 
{271} normal block at 0x00000000005A62F0, 16 bytes long.
 Data: <pVZ             > 70 56 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000000005A65C0, 16 bytes long.
 Data: <HVZ             > 48 56 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000000000059ED00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000000005A66B0, 16 bytes long.
 Data: < VZ             > 20 56 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000000000059F180, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000000005A6110, 16 bytes long.
 Data: <hUZ             > 68 55 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000000005A6070, 16 bytes long.
 Data: <@UZ             > 40 55 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000000005A5CB0, 16 bytes long.
 Data: < UZ             > 18 55 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000000005A5C10, 16 bytes long.
 Data: <&#240;TZ             > F0 54 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000000005A0110, 16 bytes long.
 Data: <&#200;TZ             > C8 54 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000000005A0520, 16 bytes long.
 Data: <&#160;TZ             > A0 54 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000000005A0480, 16 bytes long.
 Data: <0JZ             > 30 4A 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000000005A4A30, 40 bytes long.
 Data: <  Z      @Q     > 80 04 5A 00 00 00 00 00 90 40 51 02 00 00 00 00 
{257} normal block at 0x000000000059FDF0, 16 bytes long.
 Data: < TZ             > 80 54 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000000005A03E0, 16 bytes long.
 Data: <XTZ             > 58 54 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000000000059EFA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000000000059FC60, 16 bytes long.
 Data: <0TZ             > 30 54 5A 00 00 00 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000000005A5430, 992 bytes long.
 Data: <`&#252;Y     &#160;&#239;Y     > 60 FC 59 00 00 00 00 00 A0 EF 59 00 00 00 00 00 
{89} normal block at 0x000000000059EF40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000000005A05C0, 16 bytes long.
 Data: < &#199;X             > 10 C7 58 00 00 00 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000000000058C710, 40 bytes long.
 Data: <&#192; Z     @&#239;Y     > C0 05 5A 00 00 00 00 00 40 EF 59 00 00 00 00 00 
{66} normal block at 0x00000000005A01B0, 16 bytes long.
 Data: < &#234;Wf&#247;           > 80 EA 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000000005A0660, 16 bytes long.
 Data: <@&#233;Wf&#247;           > 40 E9 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000000000059FD50, 16 bytes long.
 Data: <&#248;WTf&#247;           > F8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000000000059FEE0, 16 bytes long.
 Data: <&#216;WTf&#247;           > D8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000000005A0430, 16 bytes long.
 Data: <P Tf&#247;           > 50 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000000005A04D0, 16 bytes long.
 Data: <0 Tf&#247;           > 30 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000000005A0250, 16 bytes long.
 Data: <&#224; Tf&#247;           > E0 02 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000000000059F940, 16 bytes long.
 Data: <  Tf&#247;           > 10 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000000005A0610, 16 bytes long.
 Data: <p Tf&#247;           > 70 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000000005A02F0, 16 bytes long.
 Data: < &#192;Rf&#247;           > 18 C0 52 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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