Task 38664571

Name test_187-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND4246_0
Workunit 31607712
Created 24 Oct 2026, 23:46:03 UTC
Sent 24 Oct 2026, 23:46:04 UTC
Report deadline 29 Oct 2026, 23:46:04 UTC
Received 25 Oct 2026, 8:08:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 633950
Run time 4 hours 12 min 9 sec
CPU time 4 hours 11 min 56 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.00 MB
Peak swap size 11.51 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:57:00 (38608): wrapper (7.9.26016): starting
04:57:00 (38608): 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
04:57:01 (38608): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:57:01 (38608): 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\1\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\1\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
09:07:39 (38608): C:/Windows/system32/cmd.exe exited; CPU time 15116.750000
09:07:39 (38608): 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: 312738653 bytes.
Dumping objects ->
{3835462} normal block at 0x000002B5CA2ECD60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835451} normal block at 0x000002B5C8624AD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x000002B5C8624FA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835429} normal block at 0x000002B5C8624F30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835418} normal block at 0x000002B5C8624C90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835387} normal block at 0x000002B5CA338070, 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) : {3835374} normal block at 0x000002B5C861F0B0, 8 bytes long.
 Data: <  &#162;&#200;&#181;   > 00 00 A2 C8 B5 02 00 00 
{3833961} normal block at 0x000002B5C861F920, 8 bytes long.
 Data: < 39&#202;&#181;   > 20 33 39 CA B5 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002B5C8621530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002B5C8616C80, 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 0x000002B5C8625CF0, 16 bytes long.
 Data: < hb&#200;&#181;           > 08 68 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B5C8625DE0, 16 bytes long.
 Data: <&#224;gb&#200;&#181;           > E0 67 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B5C86207C0, 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 0x000002B5C8625A20, 16 bytes long.
 Data: <&#184;gb&#200;&#181;           > B8 67 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B5C86262E0, 16 bytes long.
 Data: < gb&#200;&#181;           > 90 67 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B5C8625840, 16 bytes long.
 Data: <hgb&#200;&#181;           > 68 67 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B5C8625CA0, 16 bytes long.
 Data: <@gb&#200;&#181;           > 40 67 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B5C8624C20, 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 0x000002B5C8626100, 16 bytes long.
 Data: < &#244;`&#200;&#181;           > 98 F4 60 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B5C86203A0, 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 0x000002B5C8626290, 16 bytes long.
 Data: <p&#244;`&#200;&#181;           > 70 F4 60 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B5C86257F0, 16 bytes long.
 Data: <H&#244;`&#200;&#181;           > 48 F4 60 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B5C8625660, 16 bytes long.
 Data: < &#244;`&#200;&#181;           > 20 F4 60 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B5C8625890, 16 bytes long.
 Data: <&#248;&#243;`&#200;&#181;           > F8 F3 60 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B5C8625750, 16 bytes long.
 Data: <&#208;&#243;`&#200;&#181;           > D0 F3 60 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B5C8625BB0, 16 bytes long.
 Data: <&#168;&#243;`&#200;&#181;           > A8 F3 60 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B5C861F9E0, 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 0x000002B5C8626240, 16 bytes long.
 Data: < &#243;`&#200;&#181;           > 80 F3 60 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B5C860F380, 320 bytes long.
 Data: <@bb&#200;&#181;   &#224;&#249;a&#200;&#181;   > 40 62 62 C8 B5 02 00 00 E0 F9 61 C8 B5 02 00 00 
{276} normal block at 0x000002B5C8625700, 16 bytes long.
 Data: < gb&#200;&#181;           > 20 67 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B5C8625C00, 16 bytes long.
 Data: <&#248;fb&#200;&#181;           > F8 66 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B5C86200A0, 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 0x000002B5C86260B0, 16 bytes long.
 Data: <&#208;fb&#200;&#181;           > D0 66 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B5C86202E0, 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 0x000002B5C86261F0, 16 bytes long.
 Data: < fb&#200;&#181;           > 18 66 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B5C8625570, 16 bytes long.
 Data: <&#240;eb&#200;&#181;           > F0 65 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B5C86255C0, 16 bytes long.
 Data: <&#200;eb&#200;&#181;           > C8 65 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B5C8626470, 16 bytes long.
 Data: <&#160;eb&#200;&#181;           > A0 65 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B5C86257A0, 16 bytes long.
 Data: <xeb&#200;&#181;           > 78 65 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B5C8625610, 16 bytes long.
 Data: <Peb&#200;&#181;           > 50 65 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B5C8625520, 16 bytes long.
 Data: <pMb&#200;&#181;           > 70 4D 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B5C8624D70, 40 bytes long.
 Data: < Ub&#200;&#181;   p 3&#202;&#181;   > 20 55 62 C8 B5 02 00 00 70 80 33 CA B5 02 00 00 
{262} normal block at 0x000002B5C8625C50, 16 bytes long.
 Data: <0eb&#200;&#181;           > 30 65 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B5C8626420, 16 bytes long.
 Data: < eb&#200;&#181;           > 08 65 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B5C8620760, 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 0x000002B5C8625930, 16 bytes long.
 Data: <&#224;db&#200;&#181;           > E0 64 62 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B5C86264E0, 992 bytes long.
 Data: <0Yb&#200;&#181;   ` b&#200;&#181;   > 30 59 62 C8 B5 02 00 00 60 07 62 C8 B5 02 00 00 
{94} normal block at 0x000002B5C861FCE0, 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 0x000002B5C861F4C0, 16 bytes long.
 Data: <0&#225;`&#200;&#181;           > 30 E1 60 C8 B5 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002B5C860E130, 40 bytes long.
 Data: <&#192;&#244;a&#200;&#181;   &#224;&#252;a&#200;&#181;   > C0 F4 61 C8 B5 02 00 00 E0 FC 61 C8 B5 02 00 00 
{71} normal block at 0x000002B5C861F790, 16 bytes long.
 Data: < &#234;= &#246;           > 80 EA 3D 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B5C861F650, 16 bytes long.
 Data: <@&#233;= &#246;           > 40 E9 3D 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B5C861F3D0, 16 bytes long.
 Data: <&#248;W: &#246;           > F8 57 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B5C861F330, 16 bytes long.
 Data: <&#216;W: &#246;           > D8 57 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B5C861F100, 16 bytes long.
 Data: <P : &#246;           > 50 04 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B5C861E9D0, 16 bytes long.
 Data: <0 : &#246;           > 30 04 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B5C861EB10, 16 bytes long.
 Data: <&#224; : &#246;           > E0 02 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B5C861EAC0, 16 bytes long.
 Data: <  : &#246;           > 10 04 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B5C861F2E0, 16 bytes long.
 Data: <p : &#246;           > 70 04 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B5C861EA20, 16 bytes long.
 Data: < &#192;8 &#246;           > 18 C0 38 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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