Task 38663560

Name test_890-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND1008_0
Workunit 31606764
Created 24 Oct 2026, 22:14:09 UTC
Sent 24 Oct 2026, 22:14:14 UTC
Report deadline 29 Oct 2026, 22:14:14 UTC
Received 24 Oct 2026, 23:12:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636179
Run time 19 min 21 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 753.78 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>
00:53:30 (4976): wrapper (7.9.26016): starting
00:53:30 (4976): 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
00:53:31 (4976): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:53:31 (4976): 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
01:11:58 (4976): C:/Windows/system32/cmd.exe exited; CPU time 1086.953125
01:11:58 (4976): 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: 20896731 bytes.
Dumping objects ->
{3835481} normal block at 0x0000013D4604F320, 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 0x0000013D44237460, 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 0x0000013D44237620, 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 0x0000013D442373F0, 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 0x0000013D44237380, 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 0x0000013D4609D2E0, 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 0x0000013D44290560, 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 0x0000013D44230E40, 8 bytes long.
 Data: <  &#142;D=   > 00 00 8E 44 3D 01 00 00 
{3834669} normal block at 0x0000013D4428FBA0, 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 0x0000013D44231070, 8 bytes long.
 Data: < &#224;!D=   > 90 E0 21 44 3D 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000013D44226E80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000013D44227CB0, 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 0x0000013D44238A00, 16 bytes long.
 Data: <  #D=           > 98 8D 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000013D44238550, 16 bytes long.
 Data: <p #D=           > 70 8D 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013D4422E960, 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 0x0000013D44238000, 16 bytes long.
 Data: <H #D=           > 48 8D 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013D442383C0, 16 bytes long.
 Data: <  #D=           > 20 8D 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013D44238320, 16 bytes long.
 Data: <&#248;&#140;#D=           > F8 8C 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013D44237BA0, 16 bytes long.
 Data: <&#208;&#140;#D=           > D0 8C 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013D442379A0, 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 0x0000013D44238230, 16 bytes long.
 Data: <  "D=           > 18 03 22 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013D4422F6E0, 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 0x0000013D44237C90, 16 bytes long.
 Data: <&#240; "D=           > F0 02 22 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013D44237C40, 16 bytes long.
 Data: <&#200; "D=           > C8 02 22 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013D442384B0, 16 bytes long.
 Data: <&#160; "D=           > A0 02 22 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013D44237FB0, 16 bytes long.
 Data: <x "D=           > 78 02 22 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013D44237E20, 16 bytes long.
 Data: <P "D=           > 50 02 22 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013D44238370, 16 bytes long.
 Data: <( "D=           > 28 02 22 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013D4422F680, 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 0x0000013D44238730, 16 bytes long.
 Data: <  "D=           > 00 02 22 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013D44220200, 320 bytes long.
 Data: <0&#135;#D=    &#246;"D=   > 30 87 23 44 3D 01 00 00 80 F6 22 44 3D 01 00 00 
{277} normal block at 0x0000013D44237B50, 16 bytes long.
 Data: <&#176;&#140;#D=           > B0 8C 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013D442385F0, 16 bytes long.
 Data: < &#140;#D=           > 88 8C 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013D4422F080, 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 0x0000013D44238500, 16 bytes long.
 Data: <`&#140;#D=           > 60 8C 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013D4422EC00, 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 0x0000013D44238190, 16 bytes long.
 Data: <&#168;&#139;#D=           > A8 8B 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013D442380F0, 16 bytes long.
 Data: < &#139;#D=           > 80 8B 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013D442380A0, 16 bytes long.
 Data: <X&#139;#D=           > 58 8B 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013D44237F60, 16 bytes long.
 Data: <0&#139;#D=           > 30 8B 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013D44238460, 16 bytes long.
 Data: < &#139;#D=           > 08 8B 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013D44237F10, 16 bytes long.
 Data: <&#224;&#138;#D=           > E0 8A 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013D44238050, 16 bytes long.
 Data: <&#176;u#D=           > B0 75 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013D442375B0, 40 bytes long.
 Data: <P #D=   &#224;&#210;	F=   > 50 80 23 44 3D 01 00 00 E0 D2 09 46 3D 01 00 00 
{263} normal block at 0x0000013D44237EC0, 16 bytes long.
 Data: <&#192;&#138;#D=           > C0 8A 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013D44237AB0, 16 bytes long.
 Data: < &#138;#D=           > 98 8A 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013D4422F800, 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 0x0000013D44238780, 16 bytes long.
 Data: <p&#138;#D=           > 70 8A 23 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000013D44238A70, 992 bytes long.
 Data: < &#135;#D=    &#248;"D=   > 80 87 23 44 3D 01 00 00 00 F8 22 44 3D 01 00 00 
{95} normal block at 0x0000013D4422EBA0, 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 0x0000013D44230FD0, 16 bytes long.
 Data: <P&#237;!D=           > 50 ED 21 44 3D 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000013D4421ED50, 40 bytes long.
 Data: <&#208; #D=   &#160;&#235;"D=   > D0 0F 23 44 3D 01 00 00 A0 EB 22 44 3D 01 00 00 
{72} normal block at 0x0000013D442317A0, 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 0x0000013D442312F0, 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 0x0000013D44231250, 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 0x0000013D442309E0, 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 0x0000013D442315C0, 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 0x0000013D44230940, 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 0x0000013D44230F30, 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 0x0000013D44231700, 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 0x0000013D44230EE0, 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 0x0000013D44230DF0, 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>
]]>


©2026 Universitat Pompeu Fabra