Task 38687454

Name test_479-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND8676_0
Workunit 31628844
Created 28 Oct 2026, 7:54:40 UTC
Sent 28 Oct 2026, 7:54:44 UTC
Report deadline 2 Nov 2026, 7:54:44 UTC
Received 28 Oct 2026, 8:10:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626084
Run time 13 min 26 sec
CPU time 11 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.70 MB
Peak swap size 13.16 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:55:30 (9696): wrapper (7.9.26016): starting
08:55:30 (9696): 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
08:55:31 (9696): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:55:31 (9696): 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
09:08:22 (9696): C:/Windows/system32/cmd.exe exited; CPU time 717.906250
09:08:22 (9696): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 10651689 bytes.
Dumping objects ->
{3835237} normal block at 0x00000171929FE060, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000171929FE0D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x00000171929FDDC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x00000171929FD260, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000017190CB4950, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x0000017192A48380, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x0000017192A5E7E0, 102 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) : {3835148} normal block at 0x0000017190CADC70, 8 bytes long.
 Data: <   &#145;q   > 00 00 0C 91 71 01 00 00 
{3834544} normal block at 0x0000017192A5E940, 102 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 0x0000017190CAE1C0, 8 bytes long.
 Data: <&#208;&#228;&#216; q   > D0 E4 D8 90 71 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000017190CB14E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017190CA6630, 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 0x0000017190CB5770, 16 bytes long.
 Data: < j&#203; q           > 08 6A CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017190CB6210, 16 bytes long.
 Data: <&#224;i&#203; q           > E0 69 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017190CAF550, 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 0x0000017190CB5E50, 16 bytes long.
 Data: <&#184;i&#203; q           > B8 69 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017190CB5BD0, 16 bytes long.
 Data: < i&#203; q           > 90 69 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017190CB61C0, 16 bytes long.
 Data: <hi&#203; q           > 68 69 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017190CB6670, 16 bytes long.
 Data: <@i&#203; q           > 40 69 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017190CB4E90, 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 0x0000017190CB60D0, 16 bytes long.
 Data: <&#184;U&#203; q           > B8 55 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017190CAF6D0, 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 0x0000017190CB5CC0, 16 bytes long.
 Data: < U&#203; q           > 90 55 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017190CB5860, 16 bytes long.
 Data: <hU&#203; q           > 68 55 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017190CB5A40, 16 bytes long.
 Data: <@U&#203; q           > 40 55 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017190CB59F0, 16 bytes long.
 Data: < U&#203; q           > 18 55 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017190CB6580, 16 bytes long.
 Data: <&#240;T&#203; q           > F0 54 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017190CB6120, 16 bytes long.
 Data: <&#200;T&#203; q           > C8 54 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017190CAF9D0, 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 0x0000017190CB6490, 16 bytes long.
 Data: <&#160;T&#203; q           > A0 54 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017190CB54A0, 320 bytes long.
 Data: < d&#203; q   &#208;&#249;&#202; q   > 90 64 CB 90 71 01 00 00 D0 F9 CA 90 71 01 00 00 
{277} normal block at 0x0000017190CB6350, 16 bytes long.
 Data: < i&#203; q           > 20 69 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017190CB64E0, 16 bytes long.
 Data: <&#248;h&#203; q           > F8 68 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017190CAF850, 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 0x0000017190CB5C20, 16 bytes long.
 Data: <&#208;h&#203; q           > D0 68 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017190CAF670, 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 0x0000017190CB5EA0, 16 bytes long.
 Data: < h&#203; q           > 18 68 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017190CB5FE0, 16 bytes long.
 Data: <&#240;g&#203; q           > F0 67 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017190CB6440, 16 bytes long.
 Data: <&#200;g&#203; q           > C8 67 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017190CB65D0, 16 bytes long.
 Data: <&#160;g&#203; q           > A0 67 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017190CB5720, 16 bytes long.
 Data: <xg&#203; q           > 78 67 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017190CB5F90, 16 bytes long.
 Data: <Pg&#203; q           > 50 67 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017190CB57C0, 16 bytes long.
 Data: <`L&#203; q           > 60 4C CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017190CB4C60, 40 bytes long.
 Data: <&#192;W&#203; q    &#131;&#164;&#146;q   > C0 57 CB 90 71 01 00 00 80 83 A4 92 71 01 00 00 
{263} normal block at 0x0000017190CB6620, 16 bytes long.
 Data: <0g&#203; q           > 30 67 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017190CB5B80, 16 bytes long.
 Data: < g&#203; q           > 08 67 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017190CAED70, 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 0x0000017190CB5A90, 16 bytes long.
 Data: <&#224;f&#203; q           > E0 66 CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017190CB66E0, 992 bytes long.
 Data: < Z&#203; q   p&#237;&#202; q   > 90 5A CB 90 71 01 00 00 70 ED CA 90 71 01 00 00 
{95} normal block at 0x0000017190CAF3D0, 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 0x0000017190CAE210, 16 bytes long.
 Data: <@M&#203; q           > 40 4D CB 90 71 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000017190CB4D40, 40 bytes long.
 Data: < &#226;&#202; q   &#208;&#243;&#202; q   > 10 E2 CA 90 71 01 00 00 D0 F3 CA 90 71 01 00 00 
{72} normal block at 0x0000017190CADFE0, 16 bytes long.
 Data: < &#234;&#201;{&#247;           > 80 EA C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017190CAE2B0, 16 bytes long.
 Data: <@&#233;&#201;{&#247;           > 40 E9 C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017190CAD3B0, 16 bytes long.
 Data: <&#248;W&#198;{&#247;           > F8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017190CAD590, 16 bytes long.
 Data: <&#216;W&#198;{&#247;           > D8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017190CADD10, 16 bytes long.
 Data: <P &#198;{&#247;           > 50 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017190CADB80, 16 bytes long.
 Data: <0 &#198;{&#247;           > 30 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017190CAD8B0, 16 bytes long.
 Data: <&#224; &#198;{&#247;           > E0 02 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017190CADE00, 16 bytes long.
 Data: <  &#198;{&#247;           > 10 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017190CADA40, 16 bytes long.
 Data: <p &#198;{&#247;           > 70 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017190CAE260, 16 bytes long.
 Data: < &#192;&#196;{&#247;           > 18 C0 C4 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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