Task 38688742

Name test_668-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND9757_0
Workunit 31630066
Created 28 Oct 2026, 15:55:16 UTC
Sent 28 Oct 2026, 15:55:21 UTC
Report deadline 2 Nov 2026, 15:55:21 UTC
Received 28 Oct 2026, 17:00:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654960
Run time 30 min 42 sec
CPU time 28 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 800.29 MB
Peak swap size 13.03 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:31:04 (45132): wrapper (7.9.26016): starting
09:31:04 (45132): 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
09:31:05 (45132): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:31:05 (45132): 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\32\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\32\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
09:59:20 (45132): C:/Windows/system32/cmd.exe exited; CPU time 1686.421875
09:59:20 (45132): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 40441801 bytes.
Dumping objects ->
{3835451} normal block at 0x000001B71A986A50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x000001B71A986AC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x000001B71A986890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x000001B71A986580, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x000001B71A9869E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x000001B71C7A4960, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x000001B71C7BE950, 102 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) : {3835362} normal block at 0x000001B71A97F070, 8 bytes long.
 Data: <  &#233; &#183;   > 00 00 E9 1A B7 01 00 00 
{3834640} normal block at 0x000001B71C7BF5B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001B71A97F520, 8 bytes long.
 Data: <&#160;&#169;{ &#183;   > A0 A9 7B 1C B7 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001B71A97FEF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B71A975CB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001B71A985D10, 16 bytes long.
 Data: <&#200;c  &#183;           > C8 63 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B71A985400, 16 bytes long.
 Data: <&#160;c  &#183;           > A0 63 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B71A982570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001B71A985A90, 16 bytes long.
 Data: <xc  &#183;           > 78 63 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B71A9851D0, 16 bytes long.
 Data: <Pc  &#183;           > 50 63 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B71A985C70, 16 bytes long.
 Data: <(c  &#183;           > 28 63 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B71A985720, 16 bytes long.
 Data: < c  &#183;           > 00 63 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B71A986900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001B71A985360, 16 bytes long.
 Data: <&#216;&#247;&#150; &#183;           > D8 F7 96 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B71A982690, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001B71A985860, 16 bytes long.
 Data: <&#176;&#247;&#150; &#183;           > B0 F7 96 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B71A9857C0, 16 bytes long.
 Data: < &#247;&#150; &#183;           > 88 F7 96 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B71A985C20, 16 bytes long.
 Data: <`&#247;&#150; &#183;           > 60 F7 96 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B71A985AE0, 16 bytes long.
 Data: <8&#247;&#150; &#183;           > 38 F7 96 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B71A9850E0, 16 bytes long.
 Data: < &#247;&#150; &#183;           > 10 F7 96 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B71A985DB0, 16 bytes long.
 Data: <&#232;&#246;&#150; &#183;           > E8 F6 96 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B71A982510, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001B71A985F40, 16 bytes long.
 Data: <&#192;&#246;&#150; &#183;           > C0 F6 96 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B71A96F6C0, 320 bytes long.
 Data: <@_  &#183;    %  &#183;   > 40 5F 98 1A B7 01 00 00 10 25 98 1A B7 01 00 00 
{268} normal block at 0x000001B71A985270, 16 bytes long.
 Data: <&#224;b  &#183;           > E0 62 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B71A985310, 16 bytes long.
 Data: <&#184;b  &#183;           > B8 62 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B71A9824B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001B71A985B30, 16 bytes long.
 Data: < b  &#183;           > 90 62 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B71A982450, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001B71A985770, 16 bytes long.
 Data: <&#216;a  &#183;           > D8 61 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B71A985CC0, 16 bytes long.
 Data: <&#176;a  &#183;           > B0 61 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B71A985900, 16 bytes long.
 Data: < a  &#183;           > 88 61 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B71A985A40, 16 bytes long.
 Data: <`a  &#183;           > 60 61 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B71A9853B0, 16 bytes long.
 Data: <8a  &#183;           > 38 61 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B71A9859A0, 16 bytes long.
 Data: < a  &#183;           > 10 61 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B71A985810, 16 bytes long.
 Data: <&#224;&#215;&#150; &#183;           > E0 D7 96 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B71A96D7E0, 40 bytes long.
 Data: < X  &#183;   `Iz &#183;   > 10 58 98 1A B7 01 00 00 60 49 7A 1C B7 01 00 00 
{254} normal block at 0x000001B71A985E00, 16 bytes long.
 Data: <&#240;`  &#183;           > F0 60 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001B71A985220, 16 bytes long.
 Data: <&#200;`  &#183;           > C8 60 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001B71A982630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001B71A985BD0, 16 bytes long.
 Data: <&#160;`  &#183;           > A0 60 98 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001B71A9860A0, 992 bytes long.
 Data: <&#208;[  &#183;   0&  &#183;   > D0 5B 98 1A B7 01 00 00 30 26 98 1A B7 01 00 00 
{86} normal block at 0x000001B71A981DF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001B71A97F7A0, 16 bytes long.
 Data: <&#240;&#203;&#150; &#183;           > F0 CB 96 1A B7 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001B71A96CBF0, 40 bytes long.
 Data: <&#160;&#247;&#151; &#183;   &#240;   &#183;   > A0 F7 97 1A B7 01 00 00 F0 1D 98 1A B7 01 00 00 
{63} normal block at 0x000001B71A97EFD0, 16 bytes long.
 Data: < &#234;&#165;y&#247;           > 80 EA A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B71A97F750, 16 bytes long.
 Data: <@&#233;&#165;y&#247;           > 40 E9 A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B71A97F480, 16 bytes long.
 Data: <&#248;W&#162;y&#247;           > F8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B71A97F160, 16 bytes long.
 Data: <&#216;W&#162;y&#247;           > D8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B71A97F200, 16 bytes long.
 Data: <P &#162;y&#247;           > 50 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B71A97F1B0, 16 bytes long.
 Data: <0 &#162;y&#247;           > 30 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B71A97F0C0, 16 bytes long.
 Data: <&#224; &#162;y&#247;           > E0 02 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B71A97F660, 16 bytes long.
 Data: <  &#162;y&#247;           > 10 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001B71A97FCF0, 16 bytes long.
 Data: <p &#162;y&#247;           > 70 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001B71A97FAC0, 16 bytes long.
 Data: < &#192;&#160;y&#247;           > 18 C0 A0 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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