Task 38685294

Name test_585-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND8742_0
Workunit 31626769
Created 27 Oct 2026, 20:20:55 UTC
Sent 27 Oct 2026, 20:20:56 UTC
Report deadline 1 Nov 2026, 20:20:56 UTC
Received 27 Oct 2026, 23:00:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590887
Run time 38 min 18 sec
CPU time 34 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,977.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.65 MB
Peak swap size 5.29 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:24:11 (106768): wrapper (7.9.26016): starting
17:24:11 (106768): 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
17:24:13 (106768): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:24:13 (106768): 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 'E:\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 'E:\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
18:00:24 (106768): C:/Windows/system32/cmd.exe exited; CPU time 2043.640625
18:00:24 (106768): 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: 35206861 bytes.
Dumping objects ->
{3835286} normal block at 0x00000245B45EE970, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x00000245B45EEDD0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x00000245B45EEF20, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835253} normal block at 0x00000245B2A95D80, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x00000245B2A95C30, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835211} normal block at 0x00000245B463B690, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x00000245B2AFB520, 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) : {3835197} normal block at 0x00000245B2A8DCC0, 8 bytes long.
 Data: <  &#218;&#178;E   > 00 00 DA B2 45 02 00 00 
{3834570} normal block at 0x00000245B2AFB450, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000245B2A8EAD0, 8 bytes long.
 Data: <@&#234;&#182;&#178;E   > 40 EA B6 B2 45 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000245B2A92CD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000245B2A87710, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000245B2A97400, 16 bytes long.
 Data: < w&#169;&#178;E           > 98 77 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000245B2A96640, 16 bytes long.
 Data: <pw&#169;&#178;E           > 70 77 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000245B2A90C00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000245B2A97090, 16 bytes long.
 Data: <Hw&#169;&#178;E           > 48 77 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000245B2A96BE0, 16 bytes long.
 Data: < w&#169;&#178;E           > 20 77 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000245B2A96EB0, 16 bytes long.
 Data: <&#248;v&#169;&#178;E           > F8 76 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000245B2A96D20, 16 bytes long.
 Data: <&#208;v&#169;&#178;E           > D0 76 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000245B2A95CA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000245B2A96B90, 16 bytes long.
 Data: <(&#255;&#168;&#178;E           > 28 FF A8 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000245B2A90360, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000245B2A96B40, 16 bytes long.
 Data: < &#255;&#168;&#178;E           > 00 FF A8 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000245B2A96A50, 16 bytes long.
 Data: <&#216;&#254;&#168;&#178;E           > D8 FE A8 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000245B2A96730, 16 bytes long.
 Data: <&#176;&#254;&#168;&#178;E           > B0 FE A8 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000245B2A96CD0, 16 bytes long.
 Data: < &#254;&#168;&#178;E           > 88 FE A8 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000245B2A96A00, 16 bytes long.
 Data: <`&#254;&#168;&#178;E           > 60 FE A8 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000245B2A97040, 16 bytes long.
 Data: <8&#254;&#168;&#178;E           > 38 FE A8 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000245B2A905A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000245B2A96FA0, 16 bytes long.
 Data: < &#254;&#168;&#178;E           > 10 FE A8 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000245B2A8FE10, 320 bytes long.
 Data: <&#160;o&#169;&#178;E   &#160; &#169;&#178;E   > A0 6F A9 B2 45 02 00 00 A0 05 A9 B2 45 02 00 00 
{276} normal block at 0x00000245B2A969B0, 16 bytes long.
 Data: <&#176;v&#169;&#178;E           > B0 76 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000245B2A96D70, 16 bytes long.
 Data: < v&#169;&#178;E           > 88 76 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000245B2A90D20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000245B2A966E0, 16 bytes long.
 Data: <`v&#169;&#178;E           > 60 76 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000245B2A90120, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000245B2A965F0, 16 bytes long.
 Data: <&#168;u&#169;&#178;E           > A8 75 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000245B2A96C80, 16 bytes long.
 Data: < u&#169;&#178;E           > 80 75 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000245B2A96690, 16 bytes long.
 Data: <Xu&#169;&#178;E           > 58 75 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000245B2A96F00, 16 bytes long.
 Data: <0u&#169;&#178;E           > 30 75 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000245B2A96F50, 16 bytes long.
 Data: < u&#169;&#178;E           > 08 75 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000245B2A96820, 16 bytes long.
 Data: <&#224;t&#169;&#178;E           > E0 74 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000245B2A96AA0, 16 bytes long.
 Data: <&#240;]&#169;&#178;E           > F0 5D A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000245B2A95DF0, 40 bytes long.
 Data: <&#160;j&#169;&#178;E    &#182;c&#180;E   > A0 6A A9 B2 45 02 00 00 90 B6 63 B4 45 02 00 00 
{262} normal block at 0x00000245B2A96C30, 16 bytes long.
 Data: <&#192;t&#169;&#178;E           > C0 74 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000245B2A965A0, 16 bytes long.
 Data: < t&#169;&#178;E           > 98 74 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000245B2A90240, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000245B2A96960, 16 bytes long.
 Data: <pt&#169;&#178;E           > 70 74 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000245B2A97470, 992 bytes long.
 Data: <`i&#169;&#178;E   @ &#169;&#178;E   > 60 69 A9 B2 45 02 00 00 40 02 A9 B2 45 02 00 00 
{94} normal block at 0x00000245B2A90F00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000245B2A8E030, 16 bytes long.
 Data: <@X&#169;&#178;E           > 40 58 A9 B2 45 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000245B2A95840, 40 bytes long.
 Data: <0&#224;&#168;&#178;E     &#169;&#178;E   > 30 E0 A8 B2 45 02 00 00 00 0F A9 B2 45 02 00 00 
{71} normal block at 0x00000245B2A8E6C0, 16 bytes long.
 Data: < &#234;&#155;&#216;&#246;           > 80 EA 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000245B2A8DD10, 16 bytes long.
 Data: <@&#233;&#155;&#216;&#246;           > 40 E9 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000245B2A8E440, 16 bytes long.
 Data: <&#248;W &#216;&#246;           > F8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000245B2A8DD60, 16 bytes long.
 Data: <&#216;W &#216;&#246;           > D8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000245B2A8E620, 16 bytes long.
 Data: <P  &#216;&#246;           > 50 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000245B2A8EA80, 16 bytes long.
 Data: <0  &#216;&#246;           > 30 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000245B2A8E670, 16 bytes long.
 Data: <&#224;  &#216;&#246;           > E0 02 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000245B2A8E5D0, 16 bytes long.
 Data: <   &#216;&#246;           > 10 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000245B2A8E9E0, 16 bytes long.
 Data: <p  &#216;&#246;           > 70 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000245B2A8E760, 16 bytes long.
 Data: < &#192;&#150;&#216;&#246;           > 18 C0 96 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra