Task 38682566

Name test_165-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND5467_0
Workunit 31624171
Created 27 Oct 2026, 8:14:24 UTC
Sent 27 Oct 2026, 8:14:28 UTC
Report deadline 1 Nov 2026, 8:14:28 UTC
Received 27 Oct 2026, 8:48:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619953
Run time 31 min 9 sec
CPU time 27 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.06 MB
Peak swap size 5.41 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:18:28 (36280): wrapper (7.9.26016): starting
17:18:28 (36280): 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
17:18:30 (36280): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:18:30 (36280): 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 'E:\BoincData\slots\12\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 'E:\BoincData\slots\12\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
17:48:16 (36280): C:/Windows/system32/cmd.exe exited; CPU time 1648.859375
17:48:16 (36280): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 41515667 bytes.
Dumping objects ->
{3835399} normal block at 0x000002EDF4B46910, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835388} normal block at 0x000002EDF6C339F0, 32 bytes long.
 Data: <HOME=E:\BoincDat> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835377} normal block at 0x000002EDF6C33B10, 32 bytes long.
 Data: <TMP=E:\BoincData> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835366} normal block at 0x000002EDF6C333F0, 32 bytes long.
 Data: <TEMP=E:\BoincDat> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835355} normal block at 0x000002EDF6C33990, 32 bytes long.
 Data: <TMPDIR=E:\BoincD> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 44 
{3835324} normal block at 0x000002EDF4B468A0, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835313} normal block at 0x000002EDF6C00190, 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) : {3835310} normal block at 0x000002EDF4B3F5F0, 8 bytes long.
 Data: <  	     > 00 00 09 F5 ED 02 00 00 
{3834688} normal block at 0x000002EDF6C00240, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834077} normal block at 0x000002EDF4B3F5A0, 8 bytes long.
 Data: <  &#178;     > 90 E5 B2 F4 ED 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002EDF4B3FDE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002EDF4B374B0, 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 0x000002EDF4B47840, 16 bytes long.
 Data: <&#216; &#180;             > D8 85 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002EDF4B48150, 16 bytes long.
 Data: <&#176; &#180;             > B0 85 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002EDF4B41D80, 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 0x000002EDF4B48100, 16 bytes long.
 Data: <  &#180;             > 88 85 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002EDF4B48060, 16 bytes long.
 Data: <` &#180;             > 60 85 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002EDF4B477F0, 16 bytes long.
 Data: <8 &#180;             > 38 85 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002EDF4B48010, 16 bytes long.
 Data: <  &#180;             > 10 85 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002EDF4B469F0, 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 0x000002EDF4B47340, 16 bytes long.
 Data: <H&#195;&#178;             > 48 C3 B2 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002EDF4B420E0, 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 0x000002EDF4B47890, 16 bytes long.
 Data: < &#195;&#178;             > 20 C3 B2 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002EDF4B47FC0, 16 bytes long.
 Data: < &#194;&#178;             > F8 C2 B2 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002EDF4B47F70, 16 bytes long.
 Data: <&#208;&#194;&#178;             > D0 C2 B2 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002EDF4B47D90, 16 bytes long.
 Data: <&#168;&#194;&#178;             > A8 C2 B2 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002EDF4B47F20, 16 bytes long.
 Data: < &#194;&#178;             > 80 C2 B2 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002EDF4B47C00, 16 bytes long.
 Data: <X&#194;&#178;             > 58 C2 B2 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002EDF4B421A0, 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 0x000002EDF4B477A0, 16 bytes long.
 Data: <0&#194;&#178;             > 30 C2 B2 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002EDF4B2C230, 320 bytes long.
 Data: < w&#180;      !&#180;     > A0 77 B4 F4 ED 02 00 00 A0 21 B4 F4 ED 02 00 00 
{281} normal block at 0x000002EDF4B47A20, 16 bytes long.
 Data: <  &#180;             > F0 84 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002EDF4B47D40, 16 bytes long.
 Data: <&#200; &#180;             > C8 84 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002EDF4B42560, 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 0x000002EDF4B47750, 16 bytes long.
 Data: <  &#180;             > A0 84 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002EDF4B41FC0, 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 0x000002EDF4B47C50, 16 bytes long.
 Data: <  &#180;             > E8 83 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002EDF4B47AC0, 16 bytes long.
 Data: <&#192; &#180;             > C0 83 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002EDF4B47700, 16 bytes long.
 Data: <  &#180;             > 98 83 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002EDF4B47A70, 16 bytes long.
 Data: <p &#180;             > 70 83 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002EDF4B47BB0, 16 bytes long.
 Data: <H &#180;             > 48 83 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002EDF4B478E0, 16 bytes long.
 Data: <  &#180;             > 20 83 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002EDF4B476B0, 16 bytes long.
 Data: <&#176;k&#180;             > B0 6B B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002EDF4B46BB0, 40 bytes long.
 Data: <&#176;v&#180;      h&#180;     > B0 76 B4 F4 ED 02 00 00 A0 68 B4 F4 ED 02 00 00 
{267} normal block at 0x000002EDF4B47CF0, 16 bytes long.
 Data: <  &#180;             > 00 83 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002EDF4B47E80, 16 bytes long.
 Data: <&#216; &#180;             > D8 82 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002EDF4B426E0, 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 0x000002EDF4B47E30, 16 bytes long.
 Data: <&#176; &#180;             > B0 82 B4 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002EDF4B482B0, 992 bytes long.
 Data: <0~&#180;      &&#180;     > 30 7E B4 F4 ED 02 00 00 E0 26 B4 F4 ED 02 00 00 
{99} normal block at 0x000002EDF4B41DE0, 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 0x000002EDF4B3EE70, 16 bytes long.
 Data: <P &#178;             > 50 EA B2 F4 ED 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002EDF4B2EA50, 40 bytes long.
 Data: <p &#179;       &#180;     > 70 EE B3 F4 ED 02 00 00 E0 1D B4 F4 ED 02 00 00 
{74} normal block at 0x000002EDF4B3EF10, 16 bytes long.
 Data: <                > 80 EA F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002EDF4B3F050, 16 bytes long.
 Data: <@               > 40 E9 F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002EDF4B3ED80, 16 bytes long.
 Data: < W              > F8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002EDF4B3F460, 16 bytes long.
 Data: <&#216;W              > D8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002EDF4B3EAB0, 16 bytes long.
 Data: <P               > 50 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002EDF4B3F1E0, 16 bytes long.
 Data: <0               > 30 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002EDF4B3F190, 16 bytes long.
 Data: <                > E0 02 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002EDF4B3F410, 16 bytes long.
 Data: <                > 10 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002EDF4B3F3C0, 16 bytes long.
 Data: <p               > 70 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002EDF4B3F2D0, 16 bytes long.
 Data: < &#192;              > 18 C0 F2 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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