Task 38699095

Name test_551-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND1057_2
Workunit 31632447
Created 3 Nov 2026, 14:02:59 UTC
Sent 3 Nov 2026, 14:03:04 UTC
Report deadline 8 Nov 2026, 14:03:04 UTC
Received 3 Nov 2026, 14:26:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618582
Run time 19 min 47 sec
CPU time 15 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.21 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:06:01 (26940): wrapper (7.9.26016): starting
06:06:01 (26940): 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
06:06:05 (26940): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:06:05 (26940): 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\21\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\21\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
06:25:50 (26940): C:/Windows/system32/cmd.exe exited; CPU time 924.640625
06:25:50 (26940): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 12944063 bytes.
Dumping objects ->
{3835567} normal block at 0x000001ACA803DD50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x000001ACA6404760, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835545} normal block at 0x000001ACA64046F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835534} normal block at 0x000001ACA6404920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835523} normal block at 0x000001ACA6404DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835492} normal block at 0x000001ACA8089400, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000001ACA7FB08F0, 155 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) : {3835478} normal block at 0x000001ACA63FF3E0, 8 bytes long.
 Data: <  9&#166;&#172;   > 00 00 39 A6 AC 01 00 00 
{3834697} normal block at 0x000001ACA7FB0C70, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001ACA63FF4D0, 8 bytes long.
 Data: <&#208;?@&#166;&#172;   > D0 3F 40 A6 AC 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001ACA64007D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001ACA63F6910, 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 0x000001ACA6406020, 16 bytes long.
 Data: <&#232;e@&#166;&#172;           > E8 65 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001ACA6405F30, 16 bytes long.
 Data: <&#192;e@&#166;&#172;           > C0 65 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001ACA6400360, 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 0x000001ACA6405EE0, 16 bytes long.
 Data: < e@&#166;&#172;           > 98 65 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001ACA6405E90, 16 bytes long.
 Data: <pe@&#166;&#172;           > 70 65 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ACA6405350, 16 bytes long.
 Data: <He@&#166;&#172;           > 48 65 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ACA6405E40, 16 bytes long.
 Data: < e@&#166;&#172;           > 20 65 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001ACA64047D0, 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 0x000001ACA6405850, 16 bytes long.
 Data: <H ?&#166;&#172;           > 48 90 3F A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001ACA63FFA60, 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 0x000001ACA6405760, 16 bytes long.
 Data: <  ?&#166;&#172;           > 20 90 3F A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001ACA64055D0, 16 bytes long.
 Data: <&#248; ?&#166;&#172;           > F8 8F 3F A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ACA6405710, 16 bytes long.
 Data: <&#208; ?&#166;&#172;           > D0 8F 3F A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001ACA64060C0, 16 bytes long.
 Data: <&#168; ?&#166;&#172;           > A8 8F 3F A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ACA6405DF0, 16 bytes long.
 Data: <  ?&#166;&#172;           > 80 8F 3F A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ACA6405DA0, 16 bytes long.
 Data: <X ?&#166;&#172;           > 58 8F 3F A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001ACA63FFC40, 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 0x000001ACA6405670, 16 bytes long.
 Data: <0 ?&#166;&#172;           > 30 8F 3F A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001ACA63F8F30, 320 bytes long.
 Data: <pV@&#166;&#172;   @&#252;?&#166;&#172;   > 70 56 40 A6 AC 01 00 00 40 FC 3F A6 AC 01 00 00 
{275} normal block at 0x000001ACA6405D50, 16 bytes long.
 Data: < e@&#166;&#172;           > 00 65 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001ACA64059E0, 16 bytes long.
 Data: <&#216;d@&#166;&#172;           > D8 64 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001ACA63FFF40, 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 0x000001ACA6405F80, 16 bytes long.
 Data: <&#176;d@&#166;&#172;           > B0 64 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001ACA63FFFA0, 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 0x000001ACA6405CB0, 16 bytes long.
 Data: <&#248;c@&#166;&#172;           > F8 63 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ACA6405440, 16 bytes long.
 Data: <&#208;c@&#166;&#172;           > D0 63 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001ACA6405C10, 16 bytes long.
 Data: <&#168;c@&#166;&#172;           > A8 63 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ACA6405BC0, 16 bytes long.
 Data: < c@&#166;&#172;           > 80 63 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ACA6405C60, 16 bytes long.
 Data: <Xc@&#166;&#172;           > 58 63 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001ACA6405990, 16 bytes long.
 Data: <0c@&#166;&#172;           > 30 63 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ACA6405FD0, 16 bytes long.
 Data: < I@&#166;&#172;           > 90 49 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001ACA6404990, 40 bytes long.
 Data: <&#208;_@&#166;&#172;    &#148; &#168;&#172;   > D0 5F 40 A6 AC 01 00 00 00 94 08 A8 AC 01 00 00 
{261} normal block at 0x000001ACA6405AD0, 16 bytes long.
 Data: < c@&#166;&#172;           > 10 63 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001ACA6405300, 16 bytes long.
 Data: <&#232;b@&#166;&#172;           > E8 62 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001ACA6400300, 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 0x000001ACA64053F0, 16 bytes long.
 Data: <&#192;b@&#166;&#172;           > C0 62 40 A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001ACA64062C0, 992 bytes long.
 Data: <&#240;S@&#166;&#172;     @&#166;&#172;   > F0 53 40 A6 AC 01 00 00 00 03 40 A6 AC 01 00 00 
{93} normal block at 0x000001ACA63FFBE0, 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 0x000001ACA63FEE40, 16 bytes long.
 Data: <&#240;&#193;>&#166;&#172;           > F0 C1 3E A6 AC 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001ACA63EC1F0, 40 bytes long.
 Data: <@&#238;?&#166;&#172;   &#224;&#251;?&#166;&#172;   > 40 EE 3F A6 AC 01 00 00 E0 FB 3F A6 AC 01 00 00 
{70} normal block at 0x000001ACA63FF390, 16 bytes long.
 Data: < &#234;Cx&#246;           > 80 EA 43 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001ACA63FEB20, 16 bytes long.
 Data: <@&#233;Cx&#246;           > 40 E9 43 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001ACA63FF0C0, 16 bytes long.
 Data: <&#248;W@x&#246;           > F8 57 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001ACA63FF070, 16 bytes long.
 Data: <&#216;W@x&#246;           > D8 57 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001ACA63FF2F0, 16 bytes long.
 Data: <P @x&#246;           > 50 04 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ACA63FECB0, 16 bytes long.
 Data: <0 @x&#246;           > 30 04 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001ACA63FED50, 16 bytes long.
 Data: <&#224; @x&#246;           > E0 02 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ACA63FF2A0, 16 bytes long.
 Data: <  @x&#246;           > 10 04 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ACA63FEC60, 16 bytes long.
 Data: <p @x&#246;           > 70 04 40 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ACA63FED00, 16 bytes long.
 Data: < &#192;>x&#246;           > 18 C0 3E 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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