Task 38673937

Name test_957-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2331_0
Workunit 31615992
Created 26 Oct 2026, 3:49:34 UTC
Sent 26 Oct 2026, 3:49:38 UTC
Report deadline 31 Oct 2026, 3:49:38 UTC
Received 26 Oct 2026, 5:42:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652808
Run time 33 min 23 sec
CPU time 28 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.68 MB
Peak swap size 5.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:10:09 (29372): wrapper (7.9.26016): starting
06:10:09 (29372): 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
06:10:12 (29372): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:10:12 (29372): 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
06:42:08 (29372): C:/Windows/system32/cmd.exe exited; CPU time 1698.125000
06:42:08 (29372): 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: 35999025 bytes.
Dumping objects ->
{3835197} normal block at 0x000001508DC78700, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001508BEA5260, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001508BEA4D90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x000001508BEA51F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001508BEA5180, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x000001508DC272E0, 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) : {3835109} normal block at 0x000001508BE9FEC0, 8 bytes long.
 Data: <  >&#140;P   > 00 00 3E 8C 50 01 00 00 
{3833961} normal block at 0x000001508BE9FFB0, 8 bytes long.
 Data: <&#160;&#230;&#179; P   > A0 E6 B3 8D 50 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001508BEA1A60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001508BE96070, 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 0x000001508BEA5B90, 16 bytes long.
 Data: <&#200;i&#234;&#139;P           > C8 69 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001508BEA6540, 16 bytes long.
 Data: <&#160;i&#234;&#139;P           > A0 69 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001508BE9DF00, 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 0x000001508BEA58C0, 16 bytes long.
 Data: <xi&#234;&#139;P           > 78 69 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001508BEA5C30, 16 bytes long.
 Data: <Pi&#234;&#139;P           > 50 69 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001508BEA5D20, 16 bytes long.
 Data: <(i&#234;&#139;P           > 28 69 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001508BEA6220, 16 bytes long.
 Data: < i&#234;&#139;P           > 00 69 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001508BEA52D0, 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 0x000001508BEA6630, 16 bytes long.
 Data: <  &#233;&#139;P           > 08 8F E9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001508BE9D2A0, 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 0x000001508BEA5B40, 16 bytes long.
 Data: <&#224;&#142;&#233;&#139;P           > E0 8E E9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001508BEA64F0, 16 bytes long.
 Data: <&#184;&#142;&#233;&#139;P           > B8 8E E9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001508BEA6090, 16 bytes long.
 Data: < &#142;&#233;&#139;P           > 90 8E E9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001508BEA5DC0, 16 bytes long.
 Data: <h&#142;&#233;&#139;P           > 68 8E E9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001508BEA5FF0, 16 bytes long.
 Data: <@&#142;&#233;&#139;P           > 40 8E E9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001508BEA5AF0, 16 bytes long.
 Data: < &#142;&#233;&#139;P           > 18 8E E9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001508BE9DBA0, 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 0x000001508BEA5E10, 16 bytes long.
 Data: <&#240; &#233;&#139;P           > F0 8D E9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001508BE98DF0, 320 bytes long.
 Data: < ^&#234;&#139;P   &#160;&#219;&#233;&#139;P   > 10 5E EA 8B 50 01 00 00 A0 DB E9 8B 50 01 00 00 
{276} normal block at 0x000001508BEA64A0, 16 bytes long.
 Data: <&#224;h&#234;&#139;P           > E0 68 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001508BEA5F50, 16 bytes long.
 Data: <&#184;h&#234;&#139;P           > B8 68 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001508BE9DEA0, 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 0x000001508BEA59B0, 16 bytes long.
 Data: < h&#234;&#139;P           > 90 68 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001508BE9D6C0, 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 0x000001508BEA5870, 16 bytes long.
 Data: <&#216;g&#234;&#139;P           > D8 67 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001508BEA5AA0, 16 bytes long.
 Data: <&#176;g&#234;&#139;P           > B0 67 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001508BEA5960, 16 bytes long.
 Data: < g&#234;&#139;P           > 88 67 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001508BEA5CD0, 16 bytes long.
 Data: <`g&#234;&#139;P           > 60 67 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001508BEA6180, 16 bytes long.
 Data: <8g&#234;&#139;P           > 38 67 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001508BEA5F00, 16 bytes long.
 Data: < g&#234;&#139;P           > 10 67 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001508BEA6400, 16 bytes long.
 Data: <&#224;N&#234;&#139;P           > E0 4E EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001508BEA4EE0, 40 bytes long.
 Data: < d&#234;&#139;P   &#224;r&#194; P   > 00 64 EA 8B 50 01 00 00 E0 72 C2 8D 50 01 00 00 
{262} normal block at 0x000001508BEA56E0, 16 bytes long.
 Data: <&#240;f&#234;&#139;P           > F0 66 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001508BEA5EB0, 16 bytes long.
 Data: <&#200;f&#234;&#139;P           > C8 66 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001508BE9D1E0, 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 0x000001508BEA6040, 16 bytes long.
 Data: <&#160;f&#234;&#139;P           > A0 66 EA 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001508BEA66A0, 992 bytes long.
 Data: <@`&#234;&#139;P   &#224;&#209;&#233;&#139;P   > 40 60 EA 8B 50 01 00 00 E0 D1 E9 8B 50 01 00 00 
{94} normal block at 0x000001508BE9DC00, 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 0x000001508BE9F560, 16 bytes long.
 Data: < &#237;&#233;&#139;P           > 80 ED E9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001508BE9ED80, 40 bytes long.
 Data: <`&#245;&#233;&#139;P    &#220;&#233;&#139;P   > 60 F5 E9 8B 50 01 00 00 00 DC E9 8B 50 01 00 00 
{71} normal block at 0x000001508BEA00F0, 16 bytes long.
 Data: < &#234;&#162;$&#246;           > 80 EA A2 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001508BE9FD30, 16 bytes long.
 Data: <@&#233;&#162;$&#246;           > 40 E9 A2 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001508BEA00A0, 16 bytes long.
 Data: <&#248;W&#159;$&#246;           > F8 57 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001508BE9FE20, 16 bytes long.
 Data: <&#216;W&#159;$&#246;           > D8 57 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001508BE9FE70, 16 bytes long.
 Data: <P &#159;$&#246;           > 50 04 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001508BE9FF60, 16 bytes long.
 Data: <0 &#159;$&#246;           > 30 04 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001508BE9F650, 16 bytes long.
 Data: <&#224; &#159;$&#246;           > E0 02 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001508BEA01E0, 16 bytes long.
 Data: <  &#159;$&#246;           > 10 04 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001508BE9F2E0, 16 bytes long.
 Data: <p &#159;$&#246;           > 70 04 9F 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001508BEA0190, 16 bytes long.
 Data: < &#192; $&#246;           > 18 C0 9D 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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