Task 38675798

Name test_362-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND6100_0
Workunit 31617748
Created 26 Oct 2026, 9:20:13 UTC
Sent 26 Oct 2026, 9:20:19 UTC
Report deadline 31 Oct 2026, 9:20:19 UTC
Received 26 Oct 2026, 10:06:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652094
Run time 15 min 25 sec
CPU time 14 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 769.43 MB
Peak swap size 13.02 GB
Peak disk usage 3.45 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
10:51:21 (52740): wrapper (7.9.26016): starting
10:51:21 (52740): 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
10:51:22 (52740): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:51:22 (52740): 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
11:06:12 (52740): C:/Windows/system32/cmd.exe exited; CPU time 877.359375
11:06:12 (52740): 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: 21436704 bytes.
Dumping objects ->
{3835546} normal block at 0x000001CAFF3A6B90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x000001CAFF3A6C00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x000001CAFF3A6AB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x000001CAFF3A6F10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000001CAFF3A7060, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x000001CAFFDC9C00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000001CAFFDDE3A0, 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) : {3835457} normal block at 0x000001CAFF3A0EB0, 8 bytes long.
 Data: <  7&#255;&#202;   > 00 00 37 FF CA 01 00 00 
{3834685} normal block at 0x000001CAFFDDE940, 85 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 0x000001CAFF3A12C0, 8 bytes long.
 Data: <&#208;R&#226;&#255;&#202;   > D0 52 E2 FF CA 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001CAFF3A30F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001CAFF398670, 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 0x000001CAFF3A7780, 16 bytes long.
 Data: <&#200;&#132;:&#255;&#202;           > C8 84 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CAFF3A7960, 16 bytes long.
 Data: <&#160;&#132;:&#255;&#202;           > A0 84 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CAFF3A1880, 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 0x000001CAFF3A7DC0, 16 bytes long.
 Data: <x&#132;:&#255;&#202;           > 78 84 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CAFF3A7500, 16 bytes long.
 Data: <P&#132;:&#255;&#202;           > 50 84 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CAFF3A7F50, 16 bytes long.
 Data: <(&#132;:&#255;&#202;           > 28 84 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CAFF3A7910, 16 bytes long.
 Data: < &#132;:&#255;&#202;           > 00 84 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CAFF3A70D0, 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 0x000001CAFF3A7820, 16 bytes long.
 Data: < &#181;8&#255;&#202;           > 08 B5 38 FF CA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CAFF3A19A0, 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 0x000001CAFF3A7AF0, 16 bytes long.
 Data: <&#224;&#180;8&#255;&#202;           > E0 B4 38 FF CA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CAFF3A7280, 16 bytes long.
 Data: <&#184;&#180;8&#255;&#202;           > B8 B4 38 FF CA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CAFF3A7A00, 16 bytes long.
 Data: < &#180;8&#255;&#202;           > 90 B4 38 FF CA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CAFF3A8130, 16 bytes long.
 Data: <h&#180;8&#255;&#202;           > 68 B4 38 FF CA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CAFF3A7D70, 16 bytes long.
 Data: <@&#180;8&#255;&#202;           > 40 B4 38 FF CA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CAFF3A78C0, 16 bytes long.
 Data: < &#180;8&#255;&#202;           > 18 B4 38 FF CA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CAFF3A1820, 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 0x000001CAFF3A74B0, 16 bytes long.
 Data: <&#240;&#179;8&#255;&#202;           > F0 B3 38 FF CA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CAFF38B3F0, 320 bytes long.
 Data: <&#176;t:&#255;&#202;     :&#255;&#202;   > B0 74 3A FF CA 01 00 00 20 18 3A FF CA 01 00 00 
{276} normal block at 0x000001CAFF3A7CD0, 16 bytes long.
 Data: <&#224;&#131;:&#255;&#202;           > E0 83 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CAFF3A75F0, 16 bytes long.
 Data: <&#184;&#131;:&#255;&#202;           > B8 83 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CAFF3A17C0, 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 0x000001CAFF3A7460, 16 bytes long.
 Data: < &#131;:&#255;&#202;           > 90 83 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CAFF3A2540, 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 0x000001CAFF3A7C80, 16 bytes long.
 Data: <&#216;&#130;:&#255;&#202;           > D8 82 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CAFF3A7FA0, 16 bytes long.
 Data: <&#176;&#130;:&#255;&#202;           > B0 82 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CAFF3A76E0, 16 bytes long.
 Data: < &#130;:&#255;&#202;           > 88 82 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CAFF3A7F00, 16 bytes long.
 Data: <`&#130;:&#255;&#202;           > 60 82 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CAFF3A79B0, 16 bytes long.
 Data: <8&#130;:&#255;&#202;           > 38 82 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CAFF3A7D20, 16 bytes long.
 Data: < &#130;:&#255;&#202;           > 10 82 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CAFF3A7C30, 16 bytes long.
 Data: <&#240;o:&#255;&#202;           > F0 6F 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CAFF3A6FF0, 40 bytes long.
 Data: <0|:&#255;&#202;    &#156;&#220;&#255;&#202;   > 30 7C 3A FF CA 01 00 00 00 9C DC FF CA 01 00 00 
{262} normal block at 0x000001CAFF3A7690, 16 bytes long.
 Data: <&#240; :&#255;&#202;           > F0 81 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CAFF3A77D0, 16 bytes long.
 Data: <&#200; :&#255;&#202;           > C8 81 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CAFF3A1700, 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 0x000001CAFF3A7BE0, 16 bytes long.
 Data: <&#160; :&#255;&#202;           > A0 81 3A FF CA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CAFF3A81A0, 992 bytes long.
 Data: <&#224;{:&#255;&#202;     :&#255;&#202;   > E0 7B 3A FF CA 01 00 00 00 17 3A FF CA 01 00 00 
{94} normal block at 0x000001CAFF3A16A0, 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 0x000001CAFF3A0CD0, 16 bytes long.
 Data: <0H9&#255;&#202;           > 30 48 39 FF CA 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001CAFF394830, 40 bytes long.
 Data: <&#208; :&#255;&#202;   &#160; :&#255;&#202;   > D0 0C 3A FF CA 01 00 00 A0 16 3A FF CA 01 00 00 
{71} normal block at 0x000001CAFF3A0D70, 16 bytes long.
 Data: < &#234;t &#246;           > 80 EA 74 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001CAFF3A0C30, 16 bytes long.
 Data: <@&#233;t &#246;           > 40 E9 74 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CAFF3A1360, 16 bytes long.
 Data: <&#248;Wq &#246;           > F8 57 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CAFF3A0820, 16 bytes long.
 Data: <&#216;Wq &#246;           > D8 57 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CAFF3A0FF0, 16 bytes long.
 Data: <P q &#246;           > 50 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CAFF3A1090, 16 bytes long.
 Data: <0 q &#246;           > 30 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CAFF3A0BE0, 16 bytes long.
 Data: <&#224; q &#246;           > E0 02 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CAFF3A0DC0, 16 bytes long.
 Data: <  q &#246;           > 10 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CAFF3A10E0, 16 bytes long.
 Data: <p q &#246;           > 70 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CAFF3A07D0, 16 bytes long.
 Data: < &#192;o &#246;           > 18 C0 6F 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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