Task 38682747

Name test_27-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND4389_0
Workunit 31624342
Created 27 Oct 2026, 8:56:20 UTC
Sent 27 Oct 2026, 8:56:25 UTC
Report deadline 1 Nov 2026, 8:56:25 UTC
Received 27 Oct 2026, 10:35:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641615
Run time 1 hours 32 min 8 sec
CPU time 1 hours 22 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,805.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.66 MB
Peak swap size 12.93 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:02:48 (15092): wrapper (7.9.26016): starting
18:02:48 (15092): 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
18:02:56 (15092): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:02:56 (15092): 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\16\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\16\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
19:30:41 (15092): C:/Windows/system32/cmd.exe exited; CPU time 4939.312500
19:30:41 (15092): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 106845165 bytes.
Dumping objects ->
{3835342} normal block at 0x000002B1EA4B9D70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835331} normal block at 0x000002B1EA4B9670, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835320} normal block at 0x000002B1EA4B9B40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835309} normal block at 0x000002B1EA4B92F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835298} normal block at 0x000002B1EA4B9DE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835267} normal block at 0x000002B1EC495010, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000002B1EA4EDF40, 140 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) : {3835253} normal block at 0x000002B1EA48F7A0, 8 bytes long.
 Data: <  4 &#177;   > 00 00 34 EA B1 02 00 00 
{3834655} normal block at 0x000002B1EA4ED7F0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834073} normal block at 0x000002B1EA48EF30, 8 bytes long.
 Data: <@ N &#177;   > 40 9A 4E EC B1 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002B1EA486970, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002B1EA487D30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002B1EA4966B0, 16 bytes long.
 Data: <(qI &#177;           > 28 71 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002B1EA496570, 16 bytes long.
 Data: < qI &#177;           > 00 71 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002B1EA491600, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002B1EA496660, 16 bytes long.
 Data: <&#216;pI &#177;           > D8 70 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002B1EA495E40, 16 bytes long.
 Data: <&#176;pI &#177;           > B0 70 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B1EA496CA0, 16 bytes long.
 Data: < pI &#177;           > 88 70 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B1EA496390, 16 bytes long.
 Data: <`pI &#177;           > 60 70 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B1EA4945E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002B1EA496200, 16 bytes long.
 Data: <  G &#177;           > 18 F7 47 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B1EA4915A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002B1EA496890, 16 bytes long.
 Data: <  G &#177;           > F0 F6 47 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B1EA496840, 16 bytes long.
 Data: <&#200; G &#177;           > C8 F6 47 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B1EA496C00, 16 bytes long.
 Data: <  G &#177;           > A0 F6 47 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B1EA495EE0, 16 bytes long.
 Data: <x G &#177;           > 78 F6 47 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B1EA4964D0, 16 bytes long.
 Data: <P G &#177;           > 50 F6 47 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B1EA496D40, 16 bytes long.
 Data: <( G &#177;           > 28 F6 47 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B1EA490AC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002B1EA4961B0, 16 bytes long.
 Data: <  G &#177;           > 00 F6 47 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B1EA47F600, 320 bytes long.
 Data: <&#176;aI &#177;   &#192; I &#177;   > B0 61 49 EA B1 02 00 00 C0 0A 49 EA B1 02 00 00 
{280} normal block at 0x000002B1EA4967A0, 16 bytes long.
 Data: <@pI &#177;           > 40 70 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B1EA496340, 16 bytes long.
 Data: < pI &#177;           > 18 70 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B1EA490F40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002B1EA496980, 16 bytes long.
 Data: < oI &#177;           > F0 6F 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B1EA491240, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002B1EA496160, 16 bytes long.
 Data: <8oI &#177;           > 38 6F 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B1EA496D90, 16 bytes long.
 Data: < oI &#177;           > 10 6F 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B1EA496430, 16 bytes long.
 Data: < nI &#177;           > E8 6E 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B1EA4967F0, 16 bytes long.
 Data: <&#192;nI &#177;           > C0 6E 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B1EA496520, 16 bytes long.
 Data: < nI &#177;           > 98 6E 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B1EA496250, 16 bytes long.
 Data: <pnI &#177;           > 70 6E 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B1EA496CF0, 16 bytes long.
 Data: <&#208;BI &#177;           > D0 42 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B1EA4942D0, 40 bytes long.
 Data: < lI &#177;    PI &#177;   > F0 6C 49 EA B1 02 00 00 10 50 49 EC B1 02 00 00 
{266} normal block at 0x000002B1EA496480, 16 bytes long.
 Data: <PnI &#177;           > 50 6E 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B1EA4963E0, 16 bytes long.
 Data: <(nI &#177;           > 28 6E 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B1EA490A00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002B1EA496A70, 16 bytes long.
 Data: < nI &#177;           > 00 6E 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B1EA496E00, 992 bytes long.
 Data: <pjI &#177;     I &#177;   > 70 6A 49 EA B1 02 00 00 00 0A 49 EA B1 02 00 00 
{98} normal block at 0x000002B1EA491540, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002B1EA48F4D0, 16 bytes long.
 Data: <PFI &#177;           > 50 46 49 EA B1 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002B1EA494650, 40 bytes long.
 Data: <&#208; H &#177;   @ I &#177;   > D0 F4 48 EA B1 02 00 00 40 15 49 EA B1 02 00 00 
{73} normal block at 0x000002B1EA48EC10, 16 bytes long.
 Data: <  !&#207;            > 80 EA 21 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002B1EA48F660, 16 bytes long.
 Data: <@ !&#207;            > 40 E9 21 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002B1EA48F5C0, 16 bytes long.
 Data: < W &#207;            > F8 57 1E CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B1EA48EDF0, 16 bytes long.
 Data: <&#216;W &#207;            > D8 57 1E CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B1EA48F840, 16 bytes long.
 Data: <P  &#207;            > 50 04 1E CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B1EA48F3E0, 16 bytes long.
 Data: <0  &#207;            > 30 04 1E CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B1EA48E8F0, 16 bytes long.
 Data: <   &#207;            > E0 02 1E CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B1EA48F0C0, 16 bytes long.
 Data: <   &#207;            > 10 04 1E CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B1EA48F480, 16 bytes long.
 Data: <p  &#207;            > 70 04 1E CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B1EA48F250, 16 bytes long.
 Data: < &#192; &#207;            > 18 C0 1C CF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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