Task 38686485

Name test_865-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND3949_0
Workunit 31627917
Created 28 Oct 2026, 2:50:33 UTC
Sent 28 Oct 2026, 2:50:35 UTC
Report deadline 2 Nov 2026, 2:50:35 UTC
Received 28 Oct 2026, 3:51:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615074
Run time 1 hours 0 min 5 sec
CPU time 54 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,856.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.21 MB
Peak swap size 11.29 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:53:16 (9872): wrapper (7.9.26016): starting
03:53:16 (9872): 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
03:53:19 (9872): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:53:19 (9872): 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\28\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\28\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
04:51:21 (9872): C:/Windows/system32/cmd.exe exited; CPU time 3293.390625
04:51:21 (9872): 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: 48109457 bytes.
Dumping objects ->
{3835220} normal block at 0x0000028507025850, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000028507025460, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000028507025FC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x00000285070255B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x00000285070257E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x0000028508C6B020, 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) : {3835132} normal block at 0x0000028506FF6D40, 8 bytes long.
 Data: <  &#244; &#133;   > 00 00 F4 06 85 02 00 00 
{3833949} normal block at 0x0000028506FF6C50, 8 bytes long.
 Data: <p&#233;  &#133;   > 70 E9 0D 07 85 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000285070007A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028506FE6290, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000028507001B00, 16 bytes long.
 Data: < /  &#133;           > 88 2F 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028507002050, 16 bytes long.
 Data: <`/  &#133;           > 60 2F 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028506FFD190, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000028507001E20, 16 bytes long.
 Data: <8/  &#133;           > 38 2F 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028507001C40, 16 bytes long.
 Data: < /  &#133;           > 10 2F 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000285070023C0, 16 bytes long.
 Data: <&#232;.  &#133;           > E8 2E 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028507001DD0, 16 bytes long.
 Data: <&#192;.  &#133;           > C0 2E 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028506FFBE80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000028507001D30, 16 bytes long.
 Data: <x&#203;&#255; &#133;           > 78 CB FF 06 85 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028506FFDD30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000028507002000, 16 bytes long.
 Data: <P&#203;&#255; &#133;           > 50 CB FF 06 85 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028507001AB0, 16 bytes long.
 Data: <(&#203;&#255; &#133;           > 28 CB FF 06 85 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028507001FB0, 16 bytes long.
 Data: < &#203;&#255; &#133;           > 00 CB FF 06 85 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028507001D80, 16 bytes long.
 Data: <&#216;&#202;&#255; &#133;           > D8 CA FF 06 85 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028507002140, 16 bytes long.
 Data: <&#176;&#202;&#255; &#133;           > B0 CA FF 06 85 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028507001A60, 16 bytes long.
 Data: < &#202;&#255; &#133;           > 88 CA FF 06 85 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028506FFDE50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000028507001A10, 16 bytes long.
 Data: <`&#202;&#255; &#133;           > 60 CA FF 06 85 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028506FFCA60, 320 bytes long.
 Data: <    &#133;   P&#222;&#255; &#133;   > 10 1A 00 07 85 02 00 00 50 DE FF 06 85 02 00 00 
{270} normal block at 0x0000028507001F60, 16 bytes long.
 Data: <&#160;.  &#133;           > A0 2E 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000285070019C0, 16 bytes long.
 Data: <x.  &#133;           > 78 2E 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028506FFD970, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000285070022D0, 16 bytes long.
 Data: <P.  &#133;           > 50 2E 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028506FFD550, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000028507002280, 16 bytes long.
 Data: < -  &#133;           > 98 2D 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028507002370, 16 bytes long.
 Data: <p-  &#133;           > 70 2D 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028507001970, 16 bytes long.
 Data: <H-  &#133;           > 48 2D 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028507002550, 16 bytes long.
 Data: < -  &#133;           > 20 2D 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028507001740, 16 bytes long.
 Data: <&#248;,  &#133;           > F8 2C 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000285070018D0, 16 bytes long.
 Data: <&#208;,  &#133;           > D0 2C 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000285070024B0, 16 bytes long.
 Data: <&#160;&#189;&#255; &#133;           > A0 BD FF 06 85 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028506FFBDA0, 40 bytes long.
 Data: <&#176;$  &#133;    &#176;&#198; &#133;   > B0 24 00 07 85 02 00 00 20 B0 C6 08 85 02 00 00 
{256} normal block at 0x0000028507001CE0, 16 bytes long.
 Data: <&#176;,  &#133;           > B0 2C 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000028507001F10, 16 bytes long.
 Data: < ,  &#133;           > 88 2C 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000028506FFD730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000028507001BA0, 16 bytes long.
 Data: <`,  &#133;           > 60 2C 00 07 85 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000028507002C60, 992 bytes long.
 Data: <&#160;   &#133;   0&#215;&#255; &#133;   > A0 1B 00 07 85 02 00 00 30 D7 FF 06 85 02 00 00 
{88} normal block at 0x0000028506FFD8B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000028506FF6FC0, 16 bytes long.
 Data: <&#224;&#187;&#255; &#133;           > E0 BB FF 06 85 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000028506FFBBE0, 40 bytes long.
 Data: <&#192;o&#255; &#133;   &#176;&#216;&#255; &#133;   > C0 6F FF 06 85 02 00 00 B0 D8 FF 06 85 02 00 00 
{65} normal block at 0x0000028506FF71F0, 16 bytes long.
 Data: < &#234;&#206; &#246;           > 80 EA CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028506FF76F0, 16 bytes long.
 Data: <@&#233;&#206; &#246;           > 40 E9 CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028506FF6C00, 16 bytes long.
 Data: <&#248;W&#203; &#246;           > F8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028506FF71A0, 16 bytes long.
 Data: <&#216;W&#203; &#246;           > D8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028506FF70B0, 16 bytes long.
 Data: <P &#203; &#246;           > 50 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028506FF78D0, 16 bytes long.
 Data: <0 &#203; &#246;           > 30 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028506FF7060, 16 bytes long.
 Data: <&#224; &#203; &#246;           > E0 02 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028506FF6B60, 16 bytes long.
 Data: <  &#203; &#246;           > 10 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000028506FF76A0, 16 bytes long.
 Data: <p &#203; &#246;           > 70 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000028506FF6BB0, 16 bytes long.
 Data: < &#192;&#201; &#246;           > 18 C0 C9 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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