Task 38658325

Name test_451-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND7452_0
Workunit 31601913
Created 24 Oct 2026, 12:33:18 UTC
Sent 24 Oct 2026, 12:37:20 UTC
Report deadline 29 Oct 2026, 12:37:20 UTC
Received 24 Oct 2026, 13:22:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631893
Run time 35 min 11 sec
CPU time 33 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.84 MB
Peak swap size 9.89 GB
Peak disk usage 4.19 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:48:21 (22072): wrapper (7.9.26016): starting
07:48:21 (22072): 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
07:48:22 (22072): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:48:22 (22072): 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\1\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\1\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
08:21:58 (22072): C:/Windows/system32/cmd.exe exited; CPU time 1992.187500
08:21:58 (22072): 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: 32838073 bytes.
Dumping objects ->
{3835441} normal block at 0x00000248BB136D90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835430} normal block at 0x00000248BB136A10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835419} normal block at 0x00000248BB1370A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835408} normal block at 0x00000248BB136CB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835397} normal block at 0x00000248BB137030, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835366} normal block at 0x00000248BCEEB0E0, 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) : {3835353} normal block at 0x00000248BB12DED0, 8 bytes long.
 Data: <  k&#187;H   > 00 00 6B BB 48 02 00 00 
{3833965} normal block at 0x00000248BB12E470, 8 bytes long.
 Data: < &#223; &#187;H   > 90 DF 11 BB 48 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000248BB12ECB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000248BB1274B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000248BB137F40, 16 bytes long.
 Data: <H&#134; &#187;H           > 48 86 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000248BB137CC0, 16 bytes long.
 Data: < &#134; &#187;H           > 20 86 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000248BB130280, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000248BB1382B0, 16 bytes long.
 Data: <&#248;&#133; &#187;H           > F8 85 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000248BB137D60, 16 bytes long.
 Data: <&#208;&#133; &#187;H           > D0 85 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000248BB1378B0, 16 bytes long.
 Data: <&#168;&#133; &#187;H           > A8 85 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000248BB137450, 16 bytes long.
 Data: < &#133; &#187;H           > 80 85 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000248BB136B60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000248BB1380D0, 16 bytes long.
 Data: <&#232;&#250; &#187;H           > E8 FA 11 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000248BB130100, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000248BB1375E0, 16 bytes long.
 Data: <&#192;&#250; &#187;H           > C0 FA 11 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000248BB137DB0, 16 bytes long.
 Data: < &#250; &#187;H           > 98 FA 11 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000248BB1381C0, 16 bytes long.
 Data: <p&#250; &#187;H           > 70 FA 11 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000248BB138080, 16 bytes long.
 Data: <H&#250; &#187;H           > 48 FA 11 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000248BB137C20, 16 bytes long.
 Data: < &#250; &#187;H           > 20 FA 11 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000248BB137950, 16 bytes long.
 Data: <&#248;&#249; &#187;H           > F8 F9 11 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000248BB130580, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000248BB137860, 16 bytes long.
 Data: <&#208;&#249; &#187;H           > D0 F9 11 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000248BB11F9D0, 320 bytes long.
 Data: <`x &#187;H      &#187;H   > 60 78 13 BB 48 02 00 00 80 05 13 BB 48 02 00 00 
{278} normal block at 0x00000248BB137A40, 16 bytes long.
 Data: <`&#133; &#187;H           > 60 85 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000248BB138170, 16 bytes long.
 Data: <8&#133; &#187;H           > 38 85 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000248BB130AC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000248BB138030, 16 bytes long.
 Data: < &#133; &#187;H           > 10 85 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000248BB130220, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000248BB137FE0, 16 bytes long.
 Data: <X&#132; &#187;H           > 58 84 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000248BB137720, 16 bytes long.
 Data: <0&#132; &#187;H           > 30 84 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000248BB137EA0, 16 bytes long.
 Data: < &#132; &#187;H           > 08 84 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000248BB138120, 16 bytes long.
 Data: <&#224;&#131; &#187;H           > E0 83 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000248BB137810, 16 bytes long.
 Data: <&#184;&#131; &#187;H           > B8 83 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000248BB137E50, 16 bytes long.
 Data: < &#131; &#187;H           > 90 83 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000248BB137AE0, 16 bytes long.
 Data: <&#240;j &#187;H           > F0 6A 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000248BB136AF0, 40 bytes long.
 Data: <&#224;z &#187;H   &#224;&#176;&#238;&#188;H   > E0 7A 13 BB 48 02 00 00 E0 B0 EE BC 48 02 00 00 
{264} normal block at 0x00000248BB137BD0, 16 bytes long.
 Data: <p&#131; &#187;H           > 70 83 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000248BB1376D0, 16 bytes long.
 Data: <H&#131; &#187;H           > 48 83 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000248BB130A60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000248BB137A90, 16 bytes long.
 Data: < &#131; &#187;H           > 20 83 13 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000248BB138320, 992 bytes long.
 Data: < z &#187;H   `  &#187;H   > 90 7A 13 BB 48 02 00 00 60 0A 13 BB 48 02 00 00 
{96} normal block at 0x00000248BB130E20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000248BB12E880, 16 bytes long.
 Data: < &#206; &#187;H           > 90 CE 11 BB 48 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000248BB11CE90, 40 bytes long.
 Data: < &#232; &#187;H      &#187;H   > 80 E8 12 BB 48 02 00 00 20 0E 13 BB 48 02 00 00 
{73} normal block at 0x00000248BB12DE30, 16 bytes long.
 Data: < &#234; G&#246;           > 80 EA 17 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000248BB12E4C0, 16 bytes long.
 Data: <@&#233; G&#246;           > 40 E9 17 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000248BB12E420, 16 bytes long.
 Data: <&#248;W G&#246;           > F8 57 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000248BB12DCF0, 16 bytes long.
 Data: <&#216;W G&#246;           > D8 57 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000248BB12DD40, 16 bytes long.
 Data: <P  G&#246;           > 50 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000248BB12E290, 16 bytes long.
 Data: <0  G&#246;           > 30 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000248BB12E830, 16 bytes long.
 Data: <&#224;  G&#246;           > E0 02 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000248BB12DFC0, 16 bytes long.
 Data: <   G&#246;           > 10 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000248BB12E150, 16 bytes long.
 Data: <p  G&#246;           > 70 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000248BB12DF70, 16 bytes long.
 Data: < &#192; G&#246;           > 18 C0 12 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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