Task 38668703

Name test_560-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND3916_1
Workunit 31611145
Created 25 Oct 2026, 12:31:12 UTC
Sent 25 Oct 2026, 12:31:17 UTC
Report deadline 30 Oct 2026, 12:31:17 UTC
Received 25 Oct 2026, 12:53:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627928
Run time 19 min 57 sec
CPU time 19 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.49 MB
Peak swap size 13.16 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:32:24 (28620): wrapper (7.9.26016): starting
13:32:24 (28620): 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
13:32:26 (28620): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:32:26 (28620): 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\32\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\32\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
13:52:44 (28620): C:/Windows/system32/cmd.exe exited; CPU time 1197.000000
13:52:44 (28620): 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: 22156671 bytes.
Dumping objects ->
{3835219} normal block at 0x00000254E44DF540, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x00000254E27D6EE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x00000254E27D68C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x00000254E27D6E00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000254E27D6D20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x00000254E4527140, 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) : {3835131} normal block at 0x00000254E27CFD00, 8 bytes long.
 Data: <  v&#226;T   > 00 00 76 E2 54 02 00 00 
{3833967} normal block at 0x00000254E27D0570, 8 bytes long.
 Data: < Z[&#228;T   > 10 5A 5B E4 54 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000254E27D1FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000254E27C7090, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000254E27D73B0, 16 bytes long.
 Data: <&#216;&#130;}&#226;T           > D8 82 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000254E27D79A0, 16 bytes long.
 Data: <&#176;&#130;}&#226;T           > B0 82 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000254E27CE610, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000254E27D7F40, 16 bytes long.
 Data: < &#130;}&#226;T           > 88 82 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000254E27D7360, 16 bytes long.
 Data: <`&#130;}&#226;T           > 60 82 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000254E27D7900, 16 bytes long.
 Data: <8&#130;}&#226;T           > 38 82 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000254E27D7310, 16 bytes long.
 Data: < &#130;}&#226;T           > 10 82 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000254E27D6930, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000254E27D7720, 16 bytes long.
 Data: <&#248;&#249;{&#226;T           > F8 F9 7B E2 54 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000254E27CE310, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000254E27D71D0, 16 bytes long.
 Data: <&#208;&#249;{&#226;T           > D0 F9 7B E2 54 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000254E27D76D0, 16 bytes long.
 Data: <&#168;&#249;{&#226;T           > A8 F9 7B E2 54 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000254E27D7630, 16 bytes long.
 Data: < &#249;{&#226;T           > 80 F9 7B E2 54 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000254E27D75E0, 16 bytes long.
 Data: <X&#249;{&#226;T           > 58 F9 7B E2 54 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000254E27D7770, 16 bytes long.
 Data: <0&#249;{&#226;T           > 30 F9 7B E2 54 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000254E27D7450, 16 bytes long.
 Data: < &#249;{&#226;T           > 08 F9 7B E2 54 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000254E27CDA70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000254E27D7950, 16 bytes long.
 Data: <&#224;&#248;{&#226;T           > E0 F8 7B E2 54 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000254E27BF8E0, 320 bytes long.
 Data: <Py}&#226;T   p&#218;|&#226;T   > 50 79 7D E2 54 02 00 00 70 DA 7C E2 54 02 00 00 
{279} normal block at 0x00000254E27D7BD0, 16 bytes long.
 Data: <&#240; }&#226;T           > F0 81 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000254E27D7400, 16 bytes long.
 Data: <&#200; }&#226;T           > C8 81 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000254E27CE1F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000254E27D7CC0, 16 bytes long.
 Data: <&#160; }&#226;T           > A0 81 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000254E27CDB30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000254E27D7130, 16 bytes long.
 Data: <&#232; }&#226;T           > E8 80 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000254E27D74F0, 16 bytes long.
 Data: <&#192; }&#226;T           > C0 80 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000254E27D7E00, 16 bytes long.
 Data: <  }&#226;T           > 98 80 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000254E27D7E50, 16 bytes long.
 Data: <p }&#226;T           > 70 80 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000254E27D7040, 16 bytes long.
 Data: <H }&#226;T           > 48 80 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000254E27D7EF0, 16 bytes long.
 Data: <  }&#226;T           > 20 80 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000254E27D74A0, 16 bytes long.
 Data: <&#224;g}&#226;T           > E0 67 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000254E27D67E0, 40 bytes long.
 Data: <&#160;t}&#226;T   @qR&#228;T   > A0 74 7D E2 54 02 00 00 40 71 52 E4 54 02 00 00 
{265} normal block at 0x00000254E27D7A90, 16 bytes long.
 Data: <  }&#226;T           > 00 80 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000254E27D7A40, 16 bytes long.
 Data: <&#216; }&#226;T           > D8 7F 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000254E27CE130, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000254E27D7180, 16 bytes long.
 Data: <&#176; }&#226;T           > B0 7F 7D E2 54 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000254E27D7FB0, 992 bytes long.
 Data: < q}&#226;T   0&#225;|&#226;T   > 80 71 7D E2 54 02 00 00 30 E1 7C E2 54 02 00 00 
{97} normal block at 0x00000254E27CE4F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000254E27D0750, 16 bytes long.
 Data: < &#231;{&#226;T           > 00 E7 7B E2 54 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000254E27BE700, 40 bytes long.
 Data: <P }&#226;T   &#240;&#228;|&#226;T   > 50 07 7D E2 54 02 00 00 F0 E4 7C E2 54 02 00 00 
{74} normal block at 0x00000254E27D0160, 16 bytes long.
 Data: < &#234;\&#209;&#246;           > 80 EA 5C D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000254E27CFDF0, 16 bytes long.
 Data: <@&#233;\&#209;&#246;           > 40 E9 5C D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000254E27CF9E0, 16 bytes long.
 Data: <&#248;WY&#209;&#246;           > F8 57 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000254E27D02F0, 16 bytes long.
 Data: <&#216;WY&#209;&#246;           > D8 57 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000254E27D0520, 16 bytes long.
 Data: <P Y&#209;&#246;           > 50 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000254E27CFDA0, 16 bytes long.
 Data: <0 Y&#209;&#246;           > 30 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000254E27D0110, 16 bytes long.
 Data: <&#224; Y&#209;&#246;           > E0 02 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000254E27D0660, 16 bytes long.
 Data: <  Y&#209;&#246;           > 10 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000254E27CF940, 16 bytes long.
 Data: <p Y&#209;&#246;           > 70 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000254E27CFA80, 16 bytes long.
 Data: < &#192;W&#209;&#246;           > 18 C0 57 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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