Task 38651714

Name test_504-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND4955_0
Workunit 31596041
Created 24 Oct 2026, 2:22:34 UTC
Sent 24 Oct 2026, 2:46:08 UTC
Report deadline 29 Oct 2026, 2:46:08 UTC
Received 24 Oct 2026, 3:55:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642350
Run time 30 min 10 sec
CPU time 27 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,408.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.41 MB
Peak swap size 9.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:26:35 (363484): wrapper (7.9.26016): starting
22:26:35 (363484): 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
22:26:36 (363484): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:26:36 (363484): 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
22:55:20 (363484): C:/Windows/system32/cmd.exe exited; CPU time 1679.531250
22:55:20 (363484): 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: 37897595 bytes.
Dumping objects ->
{3835248} normal block at 0x00000261E039A750, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000261E039AA60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000261E039AAD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x00000261E039AC90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x00000261E039A830, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x00000261E02BB680, 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) : {3835160} normal block at 0x00000261DE5157D0, 8 bytes long.
 Data: <   &#222;a   > 00 00 9D DE 61 02 00 00 
{3833959} normal block at 0x00000261DE515A00, 8 bytes long.
 Data: <&#192;&#142;9&#224;a   > C0 8E 39 E0 61 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000261DE4FB3A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000261DE4FC3C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000261DE515960, 16 bytes long.
 Data: <&#216;hQ&#222;a           > D8 68 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000261DE516270, 16 bytes long.
 Data: <&#176;hQ&#222;a           > B0 68 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000261DE51EA20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000261DE516040, 16 bytes long.
 Data: < hQ&#222;a           > 88 68 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000261DE515820, 16 bytes long.
 Data: <`hQ&#222;a           > 60 68 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000261DE515E60, 16 bytes long.
 Data: <8hQ&#222;a           > 38 68 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000261DE515780, 16 bytes long.
 Data: < hQ&#222;a           > 10 68 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000261DE517E30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000261DE515E10, 16 bytes long.
 Data: < &#139;Q&#222;a           > 08 8B 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000261DE51E4E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000261DE515AF0, 16 bytes long.
 Data: <&#224;&#138;Q&#222;a           > E0 8A 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000261DE515D20, 16 bytes long.
 Data: <&#184;&#138;Q&#222;a           > B8 8A 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000261DE515CD0, 16 bytes long.
 Data: < &#138;Q&#222;a           > 90 8A 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000261DE515BE0, 16 bytes long.
 Data: <h&#138;Q&#222;a           > 68 8A 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000261DE515910, 16 bytes long.
 Data: <@&#138;Q&#222;a           > 40 8A 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000261DE516450, 16 bytes long.
 Data: < &#138;Q&#222;a           > 18 8A 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000261DE51DEE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000261DE5161D0, 16 bytes long.
 Data: <&#240;&#137;Q&#222;a           > F0 89 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000261DE5189F0, 320 bytes long.
 Data: <&#208;aQ&#222;a   &#224;&#222;Q&#222;a   > D0 61 51 DE 61 02 00 00 E0 DE 51 DE 61 02 00 00 
{275} normal block at 0x00000261DE515730, 16 bytes long.
 Data: <&#240;gQ&#222;a           > F0 67 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000261DE515DC0, 16 bytes long.
 Data: <&#200;gQ&#222;a           > C8 67 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000261DE51E480, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000261DE515F00, 16 bytes long.
 Data: <&#160;gQ&#222;a           > A0 67 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000261DE51E420, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000261DE5156E0, 16 bytes long.
 Data: <&#232;fQ&#222;a           > E8 66 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000261DE515FF0, 16 bytes long.
 Data: <&#192;fQ&#222;a           > C0 66 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000261DE515690, 16 bytes long.
 Data: < fQ&#222;a           > 98 66 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000261DE515F50, 16 bytes long.
 Data: <pfQ&#222;a           > 70 66 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000261DE515C80, 16 bytes long.
 Data: <HfQ&#222;a           > 48 66 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000261DE515C30, 16 bytes long.
 Data: < fQ&#222;a           > 20 66 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000261DE5164A0, 16 bytes long.
 Data: <&#240;xQ&#222;a           > F0 78 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000261DE5178F0, 40 bytes long.
 Data: <&#160;dQ&#222;a    &#182;+&#224;a   > A0 64 51 DE 61 02 00 00 80 B6 2B E0 61 02 00 00 
{261} normal block at 0x00000261DE515B90, 16 bytes long.
 Data: < fQ&#222;a           > 00 66 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000261DE515EB0, 16 bytes long.
 Data: <&#216;eQ&#222;a           > D8 65 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000261DE502D80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000261DE515A50, 16 bytes long.
 Data: <&#176;eQ&#222;a           > B0 65 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000261DE5165B0, 992 bytes long.
 Data: <PZQ&#222;a    -P&#222;a   > 50 5A 51 DE 61 02 00 00 80 2D 50 DE 61 02 00 00 
{93} normal block at 0x00000261DE5030E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000261DE509300, 16 bytes long.
 Data: < {Q&#222;a           > 90 7B 51 DE 61 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000261DE517B90, 40 bytes long.
 Data: < &#147;P&#222;a   &#224;0P&#222;a   > 00 93 50 DE 61 02 00 00 E0 30 50 DE 61 02 00 00 
{70} normal block at 0x00000261DE509210, 16 bytes long.
 Data: < &#234;&#255;&#154;&#246;           > 80 EA FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000261DE5091C0, 16 bytes long.
 Data: <@&#233;&#255;&#154;&#246;           > 40 E9 FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000261DE509120, 16 bytes long.
 Data: <&#248;W&#252;&#154;&#246;           > F8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000261DE509080, 16 bytes long.
 Data: <&#216;W&#252;&#154;&#246;           > D8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000261DE508F90, 16 bytes long.
 Data: <P &#252;&#154;&#246;           > 50 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000261DE509710, 16 bytes long.
 Data: <0 &#252;&#154;&#246;           > 30 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000261DE508FE0, 16 bytes long.
 Data: <&#224; &#252;&#154;&#246;           > E0 02 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000261DE508EF0, 16 bytes long.
 Data: <  &#252;&#154;&#246;           > 10 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000261DE508EA0, 16 bytes long.
 Data: <p &#252;&#154;&#246;           > 70 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000261DE5096C0, 16 bytes long.
 Data: < &#192;&#250;&#154;&#246;           > 18 C0 FA 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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