Task 38685394

Name test_209-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND5102_0
Workunit 31626861
Created 27 Oct 2026, 20:50:01 UTC
Sent 27 Oct 2026, 20:50:02 UTC
Report deadline 1 Nov 2026, 20:50:02 UTC
Received 27 Oct 2026, 21:42:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640732
Run time 23 min 55 sec
CPU time 23 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 109,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.75 MB
Peak swap size 13.26 GB
Peak disk usage 3.71 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:16:33 (12052): wrapper (7.9.26016): starting
21:16:33 (12052): 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
21:16:34 (12052): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:16:34 (12052): 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\0\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\0\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
21:40:36 (12052): C:/Windows/system32/cmd.exe exited; CPU time 1421.687500
21:40:36 (12052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 25892041 bytes.
Dumping objects ->
{3835192} normal block at 0x000001BD3A36C6C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000001BD3A36CC00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x000001BD3A36CB90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835159} normal block at 0x000001BD386749D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001BD38674C00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835117} normal block at 0x000001BD3A3B9E20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835104} normal block at 0x000001BD3866FB00, 8 bytes long.
 Data: <  &#203;8&#189;   > 00 00 CB 38 BD 01 00 00 
{3833961} normal block at 0x000001BD38670640, 8 bytes long.
 Data: < YD:&#189;   > 10 59 44 3A BD 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001BD38666870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BD38667D20, 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 0x000001BD38675870, 16 bytes long.
 Data: <&#184;eg8&#189;           > B8 65 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BD38676180, 16 bytes long.
 Data: < eg8&#189;           > 90 65 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BD38671040, 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 0x000001BD38675820, 16 bytes long.
 Data: <heg8&#189;           > 68 65 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BD38675780, 16 bytes long.
 Data: <@eg8&#189;           > 40 65 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BD38675550, 16 bytes long.
 Data: < eg8&#189;           > 18 65 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BD38675BE0, 16 bytes long.
 Data: <&#240;dg8&#189;           > F0 64 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BD38674B20, 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 0x000001BD38675500, 16 bytes long.
 Data: < &#253;e8&#189;           > 98 FD 65 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BD38670AA0, 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 0x000001BD38675F50, 16 bytes long.
 Data: <p&#253;e8&#189;           > 70 FD 65 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BD38675AF0, 16 bytes long.
 Data: <H&#253;e8&#189;           > 48 FD 65 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BD38675640, 16 bytes long.
 Data: < &#253;e8&#189;           > 20 FD 65 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BD38675E10, 16 bytes long.
 Data: <&#248;&#252;e8&#189;           > F8 FC 65 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BD38675D70, 16 bytes long.
 Data: <&#208;&#252;e8&#189;           > D0 FC 65 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BD386753C0, 16 bytes long.
 Data: <&#168;&#252;e8&#189;           > A8 FC 65 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BD38671580, 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 0x000001BD38675AA0, 16 bytes long.
 Data: < &#252;e8&#189;           > 80 FC 65 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BD3865FC80, 320 bytes long.
 Data: <&#160;Zg8&#189;     g8&#189;   > A0 5A 67 38 BD 01 00 00 80 15 67 38 BD 01 00 00 
{276} normal block at 0x000001BD38675A50, 16 bytes long.
 Data: <&#208;dg8&#189;           > D0 64 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BD38675320, 16 bytes long.
 Data: <&#168;dg8&#189;           > A8 64 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BD38671640, 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 0x000001BD386755A0, 16 bytes long.
 Data: < dg8&#189;           > 80 64 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BD38670A40, 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 0x000001BD38676130, 16 bytes long.
 Data: <&#200;cg8&#189;           > C8 63 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BD386754B0, 16 bytes long.
 Data: <&#160;cg8&#189;           > A0 63 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BD38675D20, 16 bytes long.
 Data: <xcg8&#189;           > 78 63 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BD38675A00, 16 bytes long.
 Data: <Pcg8&#189;           > 50 63 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BD38675460, 16 bytes long.
 Data: <(cg8&#189;           > 28 63 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BD38675B90, 16 bytes long.
 Data: < cg8&#189;           > 00 63 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BD38675EB0, 16 bytes long.
 Data: <@Jg8&#189;           > 40 4A 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BD38674A40, 40 bytes long.
 Data: <&#176;^g8&#189;    &#158;;:&#189;   > B0 5E 67 38 BD 01 00 00 20 9E 3B 3A BD 01 00 00 
{262} normal block at 0x000001BD386759B0, 16 bytes long.
 Data: <&#224;bg8&#189;           > E0 62 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BD386752D0, 16 bytes long.
 Data: <&#184;bg8&#189;           > B8 62 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BD38670BC0, 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 0x000001BD38675FF0, 16 bytes long.
 Data: < bg8&#189;           > 90 62 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BD38676290, 992 bytes long.
 Data: <&#240;_g8&#189;   &#192; g8&#189;   > F0 5F 67 38 BD 01 00 00 C0 0B 67 38 BD 01 00 00 
{94} normal block at 0x000001BD38670E60, 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 0x000001BD386704B0, 16 bytes long.
 Data: <&#160;Gg8&#189;           > A0 47 67 38 BD 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001BD386747A0, 40 bytes long.
 Data: <&#176; g8&#189;   ` g8&#189;   > B0 04 67 38 BD 01 00 00 60 0E 67 38 BD 01 00 00 
{71} normal block at 0x000001BD3866FCE0, 16 bytes long.
 Data: < &#234;>&#229;&#246;           > 80 EA 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BD3866FF10, 16 bytes long.
 Data: <@&#233;>&#229;&#246;           > 40 E9 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BD386705A0, 16 bytes long.
 Data: <&#248;W;&#229;&#246;           > F8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BD3866FB50, 16 bytes long.
 Data: <&#216;W;&#229;&#246;           > D8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BD3866FD80, 16 bytes long.
 Data: <P ;&#229;&#246;           > 50 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BD3866FE20, 16 bytes long.
 Data: <0 ;&#229;&#246;           > 30 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BD38670190, 16 bytes long.
 Data: <&#224; ;&#229;&#246;           > E0 02 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BD38670690, 16 bytes long.
 Data: <  ;&#229;&#246;           > 10 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BD38670050, 16 bytes long.
 Data: <p ;&#229;&#246;           > 70 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BD3866FAB0, 16 bytes long.
 Data: < &#192;9&#229;&#246;           > 18 C0 39 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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