Task 38660651

Name test_863-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND9145_0
Workunit 31604137
Created 24 Oct 2026, 14:30:48 UTC
Sent 24 Oct 2026, 14:38:40 UTC
Report deadline 29 Oct 2026, 14:38:40 UTC
Received 24 Oct 2026, 15:26:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 582876
Run time 23 min 40 sec
CPU time 21 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.22 MB
Peak swap size 8.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:03:32 (14784): wrapper (7.9.26016): starting
17:03:32 (14784): 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
17:03:33 (14784): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:03:33 (14784): 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 'D:\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 'D:\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
17:25:24 (14784): C:/Windows/system32/cmd.exe exited; CPU time 1301.109375
17:25:24 (14784): 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: 21037585 bytes.
Dumping objects ->
{3835278} normal block at 0x000001DFE99B9B20, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001DFE9994670, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000001DFE9994600, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835245} normal block at 0x000001DFE9994590, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001DFE99947C0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835203} normal block at 0x000001DFEB684D80, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000001DFEB69E9D0, 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) : {3835189} normal block at 0x000001DFE998DF10, 8 bytes long.
 Data: <  &#146;&#233;&#223;   > 00 00 92 E9 DF 01 00 00 
{3834567} normal block at 0x000001DFEB69EB30, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833962} normal block at 0x000001DFE998D2E0, 8 bytes long.
 Data: < &#228;Y&#235;&#223;   > 00 E4 59 EB DF 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001DFE9991690, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DFE9985C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001DFE9995380, 16 bytes long.
 Data: < d &#233;&#223;           > 88 64 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DFE9995C90, 16 bytes long.
 Data: <`d &#233;&#223;           > 60 64 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DFE998EE00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001DFE9996050, 16 bytes long.
 Data: <8d &#233;&#223;           > 38 64 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DFE9995DD0, 16 bytes long.
 Data: < d &#233;&#223;           > 10 64 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DFE99952E0, 16 bytes long.
 Data: <&#232;c &#233;&#223;           > E8 63 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DFE9995560, 16 bytes long.
 Data: <&#192;c &#233;&#223;           > C0 63 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DFE9994910, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001DFE9995B00, 16 bytes long.
 Data: < &#177;&#151;&#233;&#223;           > 18 B1 97 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DFE998F3A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001DFE9995790, 16 bytes long.
 Data: <&#240;&#176;&#151;&#233;&#223;           > F0 B0 97 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DFE9995CE0, 16 bytes long.
 Data: <&#200;&#176;&#151;&#233;&#223;           > C8 B0 97 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DFE9995EC0, 16 bytes long.
 Data: <&#160;&#176;&#151;&#233;&#223;           > A0 B0 97 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DFE9995510, 16 bytes long.
 Data: <x&#176;&#151;&#233;&#223;           > 78 B0 97 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DFE9995970, 16 bytes long.
 Data: <P&#176;&#151;&#233;&#223;           > 50 B0 97 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DFE9995740, 16 bytes long.
 Data: <(&#176;&#151;&#233;&#223;           > 28 B0 97 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DFE998EF20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001DFE99958D0, 16 bytes long.
 Data: < &#176;&#151;&#233;&#223;           > 00 B0 97 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DFE997B000, 320 bytes long.
 Data: <&#208;X &#233;&#223;    &#239; &#233;&#223;   > D0 58 99 E9 DF 01 00 00 20 EF 98 E9 DF 01 00 00 
{274} normal block at 0x000001DFE9995A60, 16 bytes long.
 Data: <&#160;c &#233;&#223;           > A0 63 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DFE9995C40, 16 bytes long.
 Data: <xc &#233;&#223;           > 78 63 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DFE998EB60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001DFE99951F0, 16 bytes long.
 Data: <Pc &#233;&#223;           > 50 63 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DFE998EC20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001DFE9996000, 16 bytes long.
 Data: < b &#233;&#223;           > 98 62 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DFE99951A0, 16 bytes long.
 Data: <pb &#233;&#223;           > 70 62 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DFE9995F10, 16 bytes long.
 Data: <Hb &#233;&#223;           > 48 62 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DFE9995BF0, 16 bytes long.
 Data: < b &#233;&#223;           > 20 62 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DFE9995E70, 16 bytes long.
 Data: <&#248;a &#233;&#223;           > F8 61 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DFE99954C0, 16 bytes long.
 Data: <&#208;a &#233;&#223;           > D0 61 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DFE9995FB0, 16 bytes long.
 Data: <0H &#233;&#223;           > 30 48 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DFE9994830, 40 bytes long.
 Data: <&#176;_ &#233;&#223;    Mh&#235;&#223;   > B0 5F 99 E9 DF 01 00 00 80 4D 68 EB DF 01 00 00 
{260} normal block at 0x000001DFE9995920, 16 bytes long.
 Data: <&#176;a &#233;&#223;           > B0 61 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DFE9995AB0, 16 bytes long.
 Data: < a &#233;&#223;           > 88 61 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DFE998EB00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001DFE99960F0, 16 bytes long.
 Data: <`a &#233;&#223;           > 60 61 99 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DFE9996160, 992 bytes long.
 Data: <&#240;` &#233;&#223;    &#235; &#233;&#223;   > F0 60 99 E9 DF 01 00 00 00 EB 98 E9 DF 01 00 00 
{92} normal block at 0x000001DFE998F340, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001DFE998D150, 16 bytes long.
 Data: < &#223;&#151;&#233;&#223;           > 80 DF 97 E9 DF 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001DFE997DF80, 40 bytes long.
 Data: <P&#209; &#233;&#223;   @&#243; &#233;&#223;   > 50 D1 98 E9 DF 01 00 00 40 F3 98 E9 DF 01 00 00 
{69} normal block at 0x000001DFE998DBA0, 16 bytes long.
 Data: < &#234;J&#170;&#246;           > 80 EA 4A AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DFE998D290, 16 bytes long.
 Data: <@&#233;J&#170;&#246;           > 40 E9 4A AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DFE998D420, 16 bytes long.
 Data: <&#248;WG&#170;&#246;           > F8 57 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DFE998DB00, 16 bytes long.
 Data: <&#216;WG&#170;&#246;           > D8 57 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DFE998D970, 16 bytes long.
 Data: <P G&#170;&#246;           > 50 04 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DFE998D100, 16 bytes long.
 Data: <0 G&#170;&#246;           > 30 04 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DFE998D6A0, 16 bytes long.
 Data: <&#224; G&#170;&#246;           > E0 02 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DFE998DC90, 16 bytes long.
 Data: <  G&#170;&#246;           > 10 04 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DFE998DEC0, 16 bytes long.
 Data: <p G&#170;&#246;           > 70 04 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DFE998D0B0, 16 bytes long.
 Data: < &#192;E&#170;&#246;           > 18 C0 45 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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