Task 38678256

Name test_717-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8342_0
Workunit 31620086
Created 26 Oct 2026, 16:51:40 UTC
Sent 26 Oct 2026, 16:51:43 UTC
Report deadline 31 Oct 2026, 16:51:43 UTC
Received 26 Oct 2026, 17:50:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 33 min 43 sec
CPU time 30 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.55 MB
Peak swap size 9.92 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:17:35 (19392): wrapper (7.9.26016): starting
13:17:35 (19392): 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
13:17:36 (19392): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:17:36 (19392): 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\31\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\31\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
13:50:05 (19392): C:/Windows/system32/cmd.exe exited; CPU time 1856.578125
13:50:05 (19392): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 41174400 bytes.
Dumping objects ->
{3835291} normal block at 0x000001EB44A48050, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x000001EB44A48590, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000001EB44A47CD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835258} normal block at 0x000001EB44A48440, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000001EB44A479C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835216} normal block at 0x000001EB469F6C90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000001EB46A0D250, 85 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) : {3835202} normal block at 0x000001EB44A25410, 8 bytes long.
 Data: <  &#150;D&#235;   > 00 00 96 44 EB 01 00 00 
{3834578} normal block at 0x000001EB46A0C0D0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000001EB44A24BF0, 8 bytes long.
 Data: <`&#231;aF&#235;   > 60 E7 61 46 EB 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001EB44A14A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001EB449D6C40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001EB44A24FB0, 16 bytes long.
 Data: < F&#162;D&#235;           > 98 46 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001EB44A24920, 16 bytes long.
 Data: <pF&#162;D&#235;           > 70 46 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001EB44A1C570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001EB44A255F0, 16 bytes long.
 Data: <HF&#162;D&#235;           > 48 46 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001EB44A24A10, 16 bytes long.
 Data: < F&#162;D&#235;           > 20 46 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EB44A252D0, 16 bytes long.
 Data: <&#248;E&#162;D&#235;           > F8 45 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EB44A1FE70, 16 bytes long.
 Data: <&#208;E&#162;D&#235;           > D0 45 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EB44A1E480, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001EB44A20870, 16 bytes long.
 Data: <&#168;@&#162;D&#235;           > A8 40 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EB44A1C930, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001EB44A20780, 16 bytes long.
 Data: < @&#162;D&#235;           > 80 40 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EB44A1FD30, 16 bytes long.
 Data: <X@&#162;D&#235;           > 58 40 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EB44A20690, 16 bytes long.
 Data: <0@&#162;D&#235;           > 30 40 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EB44A1FCE0, 16 bytes long.
 Data: < @&#162;D&#235;           > 08 40 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EB44A20640, 16 bytes long.
 Data: <&#224;?&#162;D&#235;           > E0 3F A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EB44A20550, 16 bytes long.
 Data: <&#184;?&#162;D&#235;           > B8 3F A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EB44A1CF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001EB44A205A0, 16 bytes long.
 Data: < ?&#162;D&#235;           > 90 3F A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EB44A23F90, 320 bytes long.
 Data: <&#160; &#162;D&#235;    &#207;&#161;D&#235;   > A0 05 A2 44 EB 01 00 00 90 CF A1 44 EB 01 00 00 
{281} normal block at 0x000001EB44A1FBA0, 16 bytes long.
 Data: <&#176;E&#162;D&#235;           > B0 45 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EB44A20460, 16 bytes long.
 Data: < E&#162;D&#235;           > 88 45 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EB44A1CA50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001EB44A202D0, 16 bytes long.
 Data: <`E&#162;D&#235;           > 60 45 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EB44A1C870, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001EB44A208C0, 16 bytes long.
 Data: <&#168;D&#162;D&#235;           > A8 44 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EB44A20140, 16 bytes long.
 Data: < D&#162;D&#235;           > 80 44 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EB44A20910, 16 bytes long.
 Data: <XD&#162;D&#235;           > 58 44 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EB44A20000, 16 bytes long.
 Data: <0D&#162;D&#235;           > 30 44 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EB44A1FF60, 16 bytes long.
 Data: < D&#162;D&#235;           > 08 44 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EB44A1FE20, 16 bytes long.
 Data: <&#224;C&#162;D&#235;           > E0 43 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EB44A207D0, 16 bytes long.
 Data: < &#225;&#161;D&#235;           > 00 E1 A1 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EB44A1E100, 40 bytes long.
 Data: <&#208; &#162;D&#235;    l&#159;F&#235;   > D0 07 A2 44 EB 01 00 00 90 6C 9F 46 EB 01 00 00 
{267} normal block at 0x000001EB44A20320, 16 bytes long.
 Data: <&#192;C&#162;D&#235;           > C0 43 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EB44A200F0, 16 bytes long.
 Data: < C&#162;D&#235;           > 98 43 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EB44A1D050, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001EB44A1FC90, 16 bytes long.
 Data: <pC&#162;D&#235;           > 70 43 A2 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EB44A24370, 992 bytes long.
 Data: < &#252;&#161;D&#235;   P&#208;&#161;D&#235;   > 90 FC A1 44 EB 01 00 00 50 D0 A1 44 EB 01 00 00 
{99} normal block at 0x000001EB44A1C510, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001EB44A20280, 16 bytes long.
 Data: <P&#226;&#161;D&#235;           > 50 E2 A1 44 EB 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001EB44A1E250, 40 bytes long.
 Data: <  &#162;D&#235;    &#197;&#161;D&#235;   > 80 02 A2 44 EB 01 00 00 10 C5 A1 44 EB 01 00 00 
{76} normal block at 0x000001EB44A209B0, 16 bytes long.
 Data: < &#234;&#234;k&#246;           > 80 EA EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001EB44A1FDD0, 16 bytes long.
 Data: <@&#233;&#234;k&#246;           > 40 E9 EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001EB44A20AF0, 16 bytes long.
 Data: <&#248;W&#231;k&#246;           > F8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001EB44A20AA0, 16 bytes long.
 Data: <&#216;W&#231;k&#246;           > D8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001EB44A205F0, 16 bytes long.
 Data: <P &#231;k&#246;           > 50 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001EB44A20230, 16 bytes long.
 Data: <0 &#231;k&#246;           > 30 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EB44A20410, 16 bytes long.
 Data: <&#224; &#231;k&#246;           > E0 02 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EB44A1FFB0, 16 bytes long.
 Data: <  &#231;k&#246;           > 10 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EB44A204B0, 16 bytes long.
 Data: <p &#231;k&#246;           > 70 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EB44A20190, 16 bytes long.
 Data: < &#192;&#229;k&#246;           > 18 C0 E5 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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