Task 38664105

Name test_890-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND1008_0
Workunit 31607279
Created 24 Oct 2026, 23:12:35 UTC
Sent 24 Oct 2026, 23:12:43 UTC
Report deadline 29 Oct 2026, 23:12:43 UTC
Received 24 Oct 2026, 23:58:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636179
Run time 19 min 26 sec
CPU time 18 min 19 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 754.21 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:38:55 (30308): wrapper (7.9.26016): starting
01:38:55 (30308): 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
01:38:56 (30308): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:38:56 (30308): 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
01:57:28 (30308): C:/Windows/system32/cmd.exe exited; CPU time 1099.093750
01:57:28 (30308): 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: 20967857 bytes.
Dumping objects ->
{3835481} normal block at 0x0000029843283D60, 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 0x0000029841575350, 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 0x0000029841575820, 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 0x00000298415756D0, 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 0x0000029841575660, 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 0x00000298431F8C20, 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 0x00000298415CE7A0, 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 0x0000029841570980, 8 bytes long.
 Data: <  NA    > 00 00 4E 41 98 02 00 00 
{3834669} normal block at 0x00000298415CE6D0, 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 0x0000029841571740, 8 bytes long.
 Data: < &#224;UA    > 90 E0 55 41 98 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000029841566B00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000029841567750, 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 0x0000029841576DD0, 16 bytes long.
 Data: <hqWA            > 68 71 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000029841576D80, 16 bytes long.
 Data: <@qWA            > 40 71 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002984156F4E0, 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 0x0000029841576790, 16 bytes long.
 Data: < qWA            > 18 71 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000298415761F0, 16 bytes long.
 Data: <&#240;pWA            > F0 70 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029841576BF0, 16 bytes long.
 Data: <&#200;pWA            > C8 70 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029841576D30, 16 bytes long.
 Data: <&#160;pWA            > A0 70 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000298415752E0, 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 0x0000029841576BA0, 16 bytes long.
 Data: <8 VA            > 38 03 56 41 98 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002984156F480, 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 0x0000029841576C90, 16 bytes long.
 Data: <  VA            > 10 03 56 41 98 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029841576B00, 16 bytes long.
 Data: <&#232; VA            > E8 02 56 41 98 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029841576470, 16 bytes long.
 Data: <&#192; VA            > C0 02 56 41 98 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029841576CE0, 16 bytes long.
 Data: <  VA            > 98 02 56 41 98 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029841576060, 16 bytes long.
 Data: <p VA            > 70 02 56 41 98 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029841576740, 16 bytes long.
 Data: <H VA            > 48 02 56 41 98 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002984156F6C0, 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 0x0000029841576AB0, 16 bytes long.
 Data: <  VA            > 20 02 56 41 98 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029841560220, 320 bytes long.
 Data: <&#176;jWA    &#192;&#246;VA    > B0 6A 57 41 98 02 00 00 C0 F6 56 41 98 02 00 00 
{277} normal block at 0x0000029841575ED0, 16 bytes long.
 Data: < pWA            > 80 70 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029841576970, 16 bytes long.
 Data: <XpWA            > 58 70 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002984156F540, 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 0x0000029841576880, 16 bytes long.
 Data: <0pWA            > 30 70 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002984156EE20, 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 0x00000298415766F0, 16 bytes long.
 Data: <xoWA            > 78 6F 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000298415767E0, 16 bytes long.
 Data: <PoWA            > 50 6F 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029841575F70, 16 bytes long.
 Data: <(oWA            > 28 6F 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029841576C40, 16 bytes long.
 Data: < oWA            > 00 6F 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029841576A60, 16 bytes long.
 Data: <&#216;nWA            > D8 6E 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029841576290, 16 bytes long.
 Data: <&#176;nWA            > B0 6E 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000298415763D0, 16 bytes long.
 Data: <pRWA            > 70 52 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029841575270, 40 bytes long.
 Data: <&#208;cWA     &#140; C    > D0 63 57 41 98 02 00 00 20 8C 1F 43 98 02 00 00 
{263} normal block at 0x0000029841575E80, 16 bytes long.
 Data: < nWA            > 90 6E 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029841575F20, 16 bytes long.
 Data: <hnWA            > 68 6E 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002984156ECA0, 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 0x00000298415768D0, 16 bytes long.
 Data: <@nWA            > 40 6E 57 41 98 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029841576E40, 992 bytes long.
 Data: <&#208;hWA    &#160;&#236;VA    > D0 68 57 41 98 02 00 00 A0 EC 56 41 98 02 00 00 
{95} normal block at 0x000002984156EB80, 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 0x0000029841570BB0, 16 bytes long.
 Data: < &#238;UA            > 80 EE 55 41 98 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002984155EE80, 40 bytes long.
 Data: <&#176; WA     &#235;VA    > B0 0B 57 41 98 02 00 00 80 EB 56 41 98 02 00 00 
{72} normal block at 0x0000029841571010, 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 0x0000029841570DE0, 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 0x0000029841570B10, 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 0x0000029841570F20, 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 0x0000029841570D90, 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 0x0000029841570D40, 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 0x0000029841571790, 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 0x0000029841570E80, 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 0x0000029841570A70, 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 0x0000029841571600, 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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