Task 38666442

Name test_882-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND9604_1
Workunit 31609287
Created 25 Oct 2026, 3:16:40 UTC
Sent 25 Oct 2026, 3:29:59 UTC
Report deadline 30 Oct 2026, 3:29:59 UTC
Received 25 Oct 2026, 4:11:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636179
Run time 19 min 16 sec
CPU time 18 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 50,491.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 762.38 MB
Peak swap size 10.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:52:25 (7900): wrapper (7.9.26016): starting
04:52:25 (7900): 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
04:52:26 (7900): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:52:26 (7900): 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
05:10:47 (7900): C:/Windows/system32/cmd.exe exited; CPU time 1086.937500
05:10:47 (7900): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 20859773 bytes.
Dumping objects ->
{3835481} normal block at 0x00000214E43E49A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x00000214E26755F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x00000214E2675580, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835448} normal block at 0x00000214E2675510, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x00000214E26754A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835406} normal block at 0x00000214E4358920, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835395} normal block at 0x00000214E26CDD10, 141 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) : {3835392} normal block at 0x00000214E26715B0, 8 bytes long.
 Data: <  &#163;&#226;    > 00 00 A3 E2 14 02 00 00 
{3834669} normal block at 0x00000214E26CE2C0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000214E2671880, 8 bytes long.
 Data: < &#224;e&#226;    > 90 E0 65 E2 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000214E2667140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000214E2668560, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000214E26762E0, 16 bytes long.
 Data: <hqg&#226;            > 68 71 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000214E26769C0, 16 bytes long.
 Data: <@qg&#226;            > 40 71 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000214E266EBE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000214E2676A60, 16 bytes long.
 Data: < qg&#226;            > 18 71 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000214E2676830, 16 bytes long.
 Data: <&#240;pg&#226;            > F0 70 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000214E2676C90, 16 bytes long.
 Data: <&#200;pg&#226;            > C8 70 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000214E2675FC0, 16 bytes long.
 Data: <&#160;pg&#226;            > A0 70 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000214E26756D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000214E2676600, 16 bytes long.
 Data: <8 f&#226;            > 38 03 66 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000214E266F060, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000214E2676DD0, 16 bytes long.
 Data: <  f&#226;            > 10 03 66 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000214E2676BA0, 16 bytes long.
 Data: <&#232; f&#226;            > E8 02 66 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000214E26766A0, 16 bytes long.
 Data: <&#192; f&#226;            > C0 02 66 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000214E26760B0, 16 bytes long.
 Data: <  f&#226;            > 98 02 66 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000214E2676D80, 16 bytes long.
 Data: <p f&#226;            > 70 02 66 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000214E26765B0, 16 bytes long.
 Data: <H f&#226;            > 48 02 66 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000214E266EE80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000214E2676010, 16 bytes long.
 Data: <  f&#226;            > 20 02 66 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000214E2660220, 320 bytes long.
 Data: < `g&#226;     &#238;f&#226;    > 10 60 67 E2 14 02 00 00 80 EE 66 E2 14 02 00 00 
{277} normal block at 0x00000214E26767E0, 16 bytes long.
 Data: < pg&#226;            > 80 70 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000214E2676560, 16 bytes long.
 Data: <Xpg&#226;            > 58 70 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000214E266F180, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000214E2676970, 16 bytes long.
 Data: <0pg&#226;            > 30 70 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000214E266F480, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000214E2676920, 16 bytes long.
 Data: <xog&#226;            > 78 6F 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000214E2676650, 16 bytes long.
 Data: <Pog&#226;            > 50 6F 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000214E2676060, 16 bytes long.
 Data: <(og&#226;            > 28 6F 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000214E2676B50, 16 bytes long.
 Data: < og&#226;            > 00 6F 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000214E26761F0, 16 bytes long.
 Data: <&#216;ng&#226;            > D8 6E 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000214E2676A10, 16 bytes long.
 Data: <&#176;ng&#226;            > B0 6E 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000214E26763D0, 16 bytes long.
 Data: <`Vg&#226;            > 60 56 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000214E2675660, 40 bytes long.
 Data: <&#208;cg&#226;     &#137;5&#228;    > D0 63 67 E2 14 02 00 00 20 89 35 E4 14 02 00 00 
{263} normal block at 0x00000214E26761A0, 16 bytes long.
 Data: < ng&#226;            > 90 6E 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000214E2676BF0, 16 bytes long.
 Data: <hng&#226;            > 68 6E 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000214E266F000, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000214E2676B00, 16 bytes long.
 Data: <@ng&#226;            > 40 6E 67 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000214E2676E40, 992 bytes long.
 Data: < kg&#226;     &#240;f&#226;    > 00 6B 67 E2 14 02 00 00 00 F0 66 E2 14 02 00 00 
{95} normal block at 0x00000214E266F0C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000214E2671420, 16 bytes long.
 Data: < &#238;e&#226;            > 80 EE 65 E2 14 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000214E265EE80, 40 bytes long.
 Data: <  g&#226;    &#192;&#240;f&#226;    > 20 14 67 E2 14 02 00 00 C0 F0 66 E2 14 02 00 00 
{72} normal block at 0x00000214E2671100, 16 bytes long.
 Data: < &#234;pR&#246;           > 80 EA 70 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000214E26713D0, 16 bytes long.
 Data: <@&#233;pR&#246;           > 40 E9 70 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000214E2671830, 16 bytes long.
 Data: <&#248;WmR&#246;           > F8 57 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000214E2670CA0, 16 bytes long.
 Data: <&#216;WmR&#246;           > D8 57 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000214E2671560, 16 bytes long.
 Data: <P mR&#246;           > 50 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000214E2670F70, 16 bytes long.
 Data: <0 mR&#246;           > 30 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000214E26712E0, 16 bytes long.
 Data: <&#224; mR&#246;           > E0 02 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000214E26716F0, 16 bytes long.
 Data: <  mR&#246;           > 10 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000214E2670E30, 16 bytes long.
 Data: <p mR&#246;           > 70 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000214E2670C00, 16 bytes long.
 Data: < &#192;kR&#246;           > 18 C0 6B 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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