Task 38654027

Name test_763-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND2731_0
Workunit 31597883
Created 24 Oct 2026, 6:34:19 UTC
Sent 24 Oct 2026, 6:40:02 UTC
Report deadline 29 Oct 2026, 6:40:02 UTC
Received 24 Oct 2026, 22:13:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627510
Run time 57 min 39 sec
CPU time 53 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 662.84 MB
Peak swap size 6.83 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
18:34:13 (10044): wrapper (7.9.26016): starting
18:34:13 (10044): 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
18:34:14 (10044): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:34:14 (10044): 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\7\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\7\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
19:30:27 (10044): C:/Windows/system32/cmd.exe exited; CPU time 3220.046875
19:30:27 (10044): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 56508679 bytes.
Dumping objects ->
{3835239} normal block at 0x0000017F05624160, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000017F05624080, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000017F05624010, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x0000017F05623FA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000017F056244E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x0000017F072B6680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x0000017F0567C320, 144 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) : {3835150} normal block at 0x0000017F0561E720, 8 bytes long.
 Data: <  ]     > 00 00 5D 05 7F 01 00 00 
{3834550} normal block at 0x0000017F0567C730, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000017F0561E400, 8 bytes long.
 Data: < &#151;d     > 20 97 64 05 7F 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000017F05620880, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017F05615800, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000017F05624E10, 16 bytes long.
 Data: <H\b             > 48 5C 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017F05625680, 16 bytes long.
 Data: < \b             > 20 5C 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017F0561F010, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000017F05625630, 16 bytes long.
 Data: <&#248;[b             > F8 5B 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017F056251D0, 16 bytes long.
 Data: <&#208;[b             > D0 5B 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017F05624C30, 16 bytes long.
 Data: <&#168;[b             > A8 5B 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017F05625590, 16 bytes long.
 Data: < [b             > 80 5B 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017F056245C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000017F05624C80, 16 bytes long.
 Data: <8&#134;a             > 38 86 61 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017F0561F8B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000017F05624BE0, 16 bytes long.
 Data: < &#134;a             > 10 86 61 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017F05625040, 16 bytes long.
 Data: <&#232;&#133;a             > E8 85 61 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017F05624CD0, 16 bytes long.
 Data: <&#192;&#133;a             > C0 85 61 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017F056256D0, 16 bytes long.
 Data: < &#133;a             > 98 85 61 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017F05624FF0, 16 bytes long.
 Data: <p&#133;a             > 70 85 61 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017F05624FA0, 16 bytes long.
 Data: <H&#133;a             > 48 85 61 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017F0561FAF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000017F05625360, 16 bytes long.
 Data: < &#133;a             > 20 85 61 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017F05618520, 320 bytes long.
 Data: <`Sb     &#240;&#250;a     > 60 53 62 05 7F 01 00 00 F0 FA 61 05 7F 01 00 00 
{273} normal block at 0x0000017F05624AF0, 16 bytes long.
 Data: <`[b             > 60 5B 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017F05624960, 16 bytes long.
 Data: <8[b             > 38 5B 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017F0561F610, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000017F05624D20, 16 bytes long.
 Data: < [b             > 10 5B 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017F0561F3D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000017F05625180, 16 bytes long.
 Data: <XZb             > 58 5A 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017F05624DC0, 16 bytes long.
 Data: <0Zb             > 30 5A 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017F05625090, 16 bytes long.
 Data: < Zb             > 08 5A 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017F05624B90, 16 bytes long.
 Data: <&#224;Yb             > E0 59 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017F05625450, 16 bytes long.
 Data: <&#184;Yb             > B8 59 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017F05624AA0, 16 bytes long.
 Data: < Yb             > 90 59 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017F056249B0, 16 bytes long.
 Data: <&#176;Bb             > B0 42 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017F056242B0, 40 bytes long.
 Data: <&#176;Ib      f+     > B0 49 62 05 7F 01 00 00 80 66 2B 07 7F 01 00 00 
{259} normal block at 0x0000017F05624B40, 16 bytes long.
 Data: <pYb             > 70 59 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017F056257C0, 16 bytes long.
 Data: <HYb             > 48 59 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017F0561F130, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000017F05624A50, 16 bytes long.
 Data: < Yb             > 20 59 62 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017F05625920, 992 bytes long.
 Data: <PJb     0&#241;a     > 50 4A 62 05 7F 01 00 00 30 F1 61 05 7F 01 00 00 
{91} normal block at 0x0000017F0561F310, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000017F0561DC30, 16 bytes long.
 Data: < &#238;`             > 90 EE 60 05 7F 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000017F0560EE90, 40 bytes long.
 Data: <0&#220;a      &#243;a     > 30 DC 61 05 7F 01 00 00 10 F3 61 05 7F 01 00 00 
{68} normal block at 0x0000017F0561DD20, 16 bytes long.
 Data: < &#234;&#135;~&#247;           > 80 EA 87 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017F0561DBE0, 16 bytes long.
 Data: <@&#233;&#135;~&#247;           > 40 E9 87 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017F0561DF50, 16 bytes long.
 Data: <&#248;W&#132;~&#247;           > F8 57 84 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017F0561E2C0, 16 bytes long.
 Data: <&#216;W&#132;~&#247;           > D8 57 84 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017F0561E900, 16 bytes long.
 Data: <P &#132;~&#247;           > 50 04 84 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017F0561EA40, 16 bytes long.
 Data: <0 &#132;~&#247;           > 30 04 84 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017F0561DF00, 16 bytes long.
 Data: <&#224; &#132;~&#247;           > E0 02 84 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017F0561E810, 16 bytes long.
 Data: <  &#132;~&#247;           > 10 04 84 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017F0561E3B0, 16 bytes long.
 Data: <p &#132;~&#247;           > 70 04 84 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017F0561E4A0, 16 bytes long.
 Data: < &#192;&#130;~&#247;           > 18 C0 82 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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