Task 38679206

Name test_497-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND2344_0
Workunit 31620994
Created 26 Oct 2026, 19:49:21 UTC
Sent 26 Oct 2026, 19:49:25 UTC
Report deadline 31 Oct 2026, 19:49:25 UTC
Received 26 Oct 2026, 21:53:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638061
Run time 35 min 55 sec
CPU time 34 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.88 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:18:40 (7980): wrapper (7.9.26016): starting
16:18:40 (7980): 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
16:18:42 (7980): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:18:42 (7980): 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
16:53:28 (7980): C:/Windows/system32/cmd.exe exited; CPU time 2058.187500
16:53:28 (7980): 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: 33980853 bytes.
Dumping objects ->
{3835231} normal block at 0x000002343C1246D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x000002343C124270, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000002343C1249E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x000002343A374930, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x000002343A3747E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x000002343C0CA3C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x000002343C0DE2D0, 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) : {3835142} normal block at 0x000002343A36ECD0, 8 bytes long.
 Data: <  &#238;;4   > 00 00 EE 3B 34 02 00 00 
{3834540} normal block at 0x000002343C0DEDD0, 102 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 0x000002343A36EFF0, 8 bytes long.
 Data: <PR <4   > 50 52 15 3C 34 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002343A3714C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002343A3665B0, 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 0x000002343A375CF0, 16 bytes long.
 Data: <&#200;f7:4           > C8 66 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002343A375520, 16 bytes long.
 Data: <&#160;f7:4           > A0 66 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002343A3701D0, 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 0x000002343A3757F0, 16 bytes long.
 Data: <xf7:4           > 78 66 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002343A376060, 16 bytes long.
 Data: <Pf7:4           > 50 66 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002343A3756B0, 16 bytes long.
 Data: <(f7:4           > 28 66 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002343A375ED0, 16 bytes long.
 Data: < f7:4           > 00 66 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002343A374A10, 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 0x000002343A3761F0, 16 bytes long.
 Data: <&#184; 6:4           > B8 8F 36 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002343A3704D0, 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 0x000002343A375B60, 16 bytes long.
 Data: <  6:4           > 90 8F 36 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002343A376330, 16 bytes long.
 Data: <h 6:4           > 68 8F 36 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002343A376150, 16 bytes long.
 Data: <@ 6:4           > 40 8F 36 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002343A375E80, 16 bytes long.
 Data: <  6:4           > 18 8F 36 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002343A3759D0, 16 bytes long.
 Data: <&#240;&#142;6:4           > F0 8E 36 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002343A375CA0, 16 bytes long.
 Data: <&#200;&#142;6:4           > C8 8E 36 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002343A36F9F0, 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 0x000002343A375E30, 16 bytes long.
 Data: <&#160;&#142;6:4           > A0 8E 36 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002343A368EA0, 320 bytes long.
 Data: <0^7:4   &#240;&#249;6:4   > 30 5E 37 3A 34 02 00 00 F0 F9 36 3A 34 02 00 00 
{275} normal block at 0x000002343A3753E0, 16 bytes long.
 Data: <&#224;e7:4           > E0 65 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002343A3755C0, 16 bytes long.
 Data: <&#184;e7:4           > B8 65 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002343A36F6F0, 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 0x000002343A375D90, 16 bytes long.
 Data: < e7:4           > 90 65 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002343A3705F0, 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 0x000002343A375FC0, 16 bytes long.
 Data: <&#216;d7:4           > D8 64 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002343A375C50, 16 bytes long.
 Data: <&#176;d7:4           > B0 64 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002343A375890, 16 bytes long.
 Data: < d7:4           > 88 64 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002343A3761A0, 16 bytes long.
 Data: <`d7:4           > 60 64 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002343A3757A0, 16 bytes long.
 Data: <8d7:4           > 38 64 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002343A375DE0, 16 bytes long.
 Data: < d7:4           > 10 64 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002343A375570, 16 bytes long.
 Data: < M7:4           > 20 4D 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002343A374D20, 40 bytes long.
 Data: <pU7:4   &#192;&#163; <4   > 70 55 37 3A 34 02 00 00 C0 A3 0C 3C 34 02 00 00 
{261} normal block at 0x000002343A376100, 16 bytes long.
 Data: <&#240;c7:4           > F0 63 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002343A375610, 16 bytes long.
 Data: <&#200;c7:4           > C8 63 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002343A36FB10, 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 0x000002343A375660, 16 bytes long.
 Data: <&#160;c7:4           > A0 63 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002343A3763A0, 992 bytes long.
 Data: <`V7:4    &#251;6:4   > 60 56 37 3A 34 02 00 00 10 FB 36 3A 34 02 00 00 
{93} normal block at 0x000002343A370410, 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 0x000002343A36E960, 16 bytes long.
 Data: < J7:4           > 80 4A 37 3A 34 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002343A374A80, 40 bytes long.
 Data: <`&#233;6:4     7:4   > 60 E9 36 3A 34 02 00 00 10 04 37 3A 34 02 00 00 
{70} normal block at 0x000002343A36F270, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002343A36E910, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002343A36F180, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002343A36F3B0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002343A36ED70, 16 bytes long.
 Data: <P   &#246;           > 50 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002343A36F310, 16 bytes long.
 Data: <0   &#246;           > 30 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002343A36E820, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002343A36F130, 16 bytes long.
 Data: <    &#246;           > 10 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002343A36F0E0, 16 bytes long.
 Data: <p   &#246;           > 70 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002343A36E8C0, 16 bytes long.
 Data: < &#192;&#254; &#246;           > 18 C0 FE 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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