Task 38673167

Name test_820-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND8330_0
Workunit 31615266
Created 26 Oct 2026, 1:42:47 UTC
Sent 26 Oct 2026, 1:42:52 UTC
Report deadline 31 Oct 2026, 1:42:52 UTC
Received 26 Oct 2026, 3:27:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649517
Run time 34 min 43 sec
CPU time 32 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.98 MB
Peak swap size 9.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:53:28 (84600): wrapper (7.9.26016): starting
03:53:28 (84600): 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
03:53:29 (84600): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:53:29 (84600): 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
04:27:11 (84600): C:/Windows/system32/cmd.exe exited; CPU time 1929.703125
04:27:11 (84600): 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: 51282297 bytes.
Dumping objects ->
{3835230} normal block at 0x00000273560504A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x0000027356050C10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000027356050350, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x0000027356050F20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x0000027356050970, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x000002735441C8A0, 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) : {3835142} normal block at 0x00000273543F0DC0, 8 bytes long.
 Data: <  rTs   > 00 00 72 54 73 02 00 00 
{3833989} normal block at 0x00000273543F0E60, 8 bytes long.
 Data: < x Vs   > 90 78 12 56 73 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000273543E8710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000273543E98E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x00000273543F8CD0, 16 bytes long.
 Data: <&#216; ?Ts           > D8 98 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000273543F8960, 16 bytes long.
 Data: <&#176; ?Ts           > B0 98 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000273543F1C00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x00000273543F8BE0, 16 bytes long.
 Data: <  ?Ts           > 88 98 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000273543F8C30, 16 bytes long.
 Data: <` ?Ts           > 60 98 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000273543F8910, 16 bytes long.
 Data: <8 ?Ts           > 38 98 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000273543F8AA0, 16 bytes long.
 Data: <  ?Ts           > 10 98 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000273543F6BD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x00000273543F8870, 16 bytes long.
 Data: <  >Ts           > 98 15 3E 54 73 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000273543F1EA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x00000273543F8820, 16 bytes long.
 Data: <p >Ts           > 70 15 3E 54 73 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000273543F8A50, 16 bytes long.
 Data: <H >Ts           > 48 15 3E 54 73 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000273543F8C80, 16 bytes long.
 Data: <  >Ts           > 20 15 3E 54 73 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000273543F8B90, 16 bytes long.
 Data: <&#248; >Ts           > F8 14 3E 54 73 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000273543F9270, 16 bytes long.
 Data: <&#208; >Ts           > D0 14 3E 54 73 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000273543F91D0, 16 bytes long.
 Data: <&#168; >Ts           > A8 14 3E 54 73 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000273543F22C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x00000273543F88C0, 16 bytes long.
 Data: <  >Ts           > 80 14 3E 54 73 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000273543E1480, 320 bytes long.
 Data: <&#192; ?Ts   &#192;"?Ts   > C0 88 3F 54 73 02 00 00 C0 22 3F 54 73 02 00 00 
{290} normal block at 0x00000273543F9220, 16 bytes long.
 Data: <&#240;&#151;?Ts           > F0 97 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000273543F9090, 16 bytes long.
 Data: <&#200;&#151;?Ts           > C8 97 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000273543F19C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x00000273543F8F50, 16 bytes long.
 Data: <&#160;&#151;?Ts           > A0 97 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000273543F2080, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x00000273543F9450, 16 bytes long.
 Data: <&#232;&#150;?Ts           > E8 96 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000273543F93B0, 16 bytes long.
 Data: <&#192;&#150;?Ts           > C0 96 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000273543F8B40, 16 bytes long.
 Data: < &#150;?Ts           > 98 96 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000273543F9040, 16 bytes long.
 Data: <p&#150;?Ts           > 70 96 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000273543F8E60, 16 bytes long.
 Data: <H&#150;?Ts           > 48 96 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000273543F85F0, 16 bytes long.
 Data: < &#150;?Ts           > 20 96 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000273543F8E10, 16 bytes long.
 Data: <@l?Ts           > 40 6C 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000273543F6C40, 40 bytes long.
 Data: < &#142;?Ts   &#160;&#200;ATs   > 10 8E 3F 54 73 02 00 00 A0 C8 41 54 73 02 00 00 
{276} normal block at 0x00000273543F8FF0, 16 bytes long.
 Data: < &#150;?Ts           > 00 96 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000273543F8D70, 16 bytes long.
 Data: <&#216;&#149;?Ts           > D8 95 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000273543F20E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x00000273543F8F00, 16 bytes long.
 Data: <&#176;&#149;?Ts           > B0 95 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000273543F95B0, 992 bytes long.
 Data: <  ?Ts   &#224; ?Ts   > 00 8F 3F 54 73 02 00 00 E0 20 3F 54 73 02 00 00 
{108} normal block at 0x00000273543F1B40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x00000273543F0D70, 16 bytes long.
 Data: <pg?Ts           > 70 67 3F 54 73 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000273543F6770, 40 bytes long.
 Data: <p ?Ts   @ ?Ts   > 70 0D 3F 54 73 02 00 00 40 1B 3F 54 73 02 00 00 
{85} normal block at 0x00000273543F0910, 16 bytes long.
 Data: < &#234; q&#246;           > 80 EA 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000273543F0F00, 16 bytes long.
 Data: <@&#233; q&#246;           > 40 E9 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000273543F0780, 16 bytes long.
 Data: <&#248;W q&#246;           > F8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000273543F1360, 16 bytes long.
 Data: <&#216;W q&#246;           > D8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000273543F1310, 16 bytes long.
 Data: <P  q&#246;           > 50 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000273543F0C30, 16 bytes long.
 Data: <0  q&#246;           > 30 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000273543F06E0, 16 bytes long.
 Data: <&#224;  q&#246;           > E0 02 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000273543F08C0, 16 bytes long.
 Data: <   q&#246;           > 10 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000273543F0EB0, 16 bytes long.
 Data: <p  q&#246;           > 70 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000273543F12C0, 16 bytes long.
 Data: < &#192; q&#246;           > 18 C0 18 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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