Task 38678225

Name	test_156-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND1738_0
Workunit	31620055
Created	26 Oct 2026, 16:46:08 UTC
Sent	26 Oct 2026, 16:46:15 UTC
Report deadline	31 Oct 2026, 16:46:15 UTC
Received	26 Oct 2026, 19:24:04 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	631047
Run time	2 hours 12 min 47 sec
CPU time	1 hours 41 min
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	14,933.54 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	753.94 MB
Peak swap size	9.21 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:11:56 (11760): wrapper (7.9.26016): starting
02:11:56 (11760): 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
02:12:02 (11760): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:12:02 (11760): 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\3\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\3\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
04:21:53 (11760): C:/Windows/system32/cmd.exe exited; CPU time 6060.562500
04:21:53 (11760): 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: 100372117 bytes.
Dumping objects ->
{3835555} normal block at 0x00000175667648A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x00000175667647C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x0000017566764830, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x0000017566764750, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x0000017566764520, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x00000175686D52B0, 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) : {3835467} normal block at 0x000001756675E960, 8 bytes long.
 Data: <  nfu   > 00 00 6E 66 75 01 00 00 
{3834045} normal block at 0x000001756675E0F0, 8 bytes long.
 Data: <p&#216;tfu   > 70 D8 74 66 75 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000175667602A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017566755570, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000017566765910, 16 bytes long.
 Data: <Xavfu           > 58 61 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000175667653C0, 16 bytes long.
 Data: <0avfu           > 30 61 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001756675F9B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000017566765410, 16 bytes long.
 Data: < avfu           > 08 61 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000175667657D0, 16 bytes long.
 Data: < `vfu           > E0 60 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017566765500, 16 bytes long.
 Data: <&#184;`vfu           > B8 60 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017566765BE0, 16 bytes long.
 Data: < `vfu           > 90 60 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017566764590, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000175667654B0, 16 bytes long.
 Data: <&#200; tfu           > C8 F3 74 66 75 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001756675F710, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000017566765230, 16 bytes long.
 Data: <  tfu           > A0 F3 74 66 75 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017566765320, 16 bytes long.
 Data: <x tfu           > 78 F3 74 66 75 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000175667652D0, 16 bytes long.
 Data: <P tfu           > 50 F3 74 66 75 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000175667651E0, 16 bytes long.
 Data: <( tfu           > 28 F3 74 66 75 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017566765730, 16 bytes long.
 Data: <  tfu           > 00 F3 74 66 75 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017566765D20, 16 bytes long.
 Data: <&#216; tfu           > D8 F2 74 66 75 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001756675FB30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000175667650F0, 16 bytes long.
 Data: <&#176; tfu           > B0 F2 74 66 75 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001756674F2B0, 320 bytes long.
 Data: < Pvfu   0 ufu   > F0 50 76 66 75 01 00 00 30 FB 75 66 75 01 00 00 
{273} normal block at 0x0000017566765140, 16 bytes long.
 Data: <p`vfu           > 70 60 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017566765190, 16 bytes long.
 Data: <H`vfu           > 48 60 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001756675F950, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000017566765780, 16 bytes long.
 Data: < `vfu           > 20 60 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001756675F5F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000017566765C30, 16 bytes long.
 Data: <h_vfu           > 68 5F 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000175667650A0, 16 bytes long.
 Data: <@_vfu           > 40 5F 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017566765B90, 16 bytes long.
 Data: < _vfu           > 18 5F 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017566765960, 16 bytes long.
 Data: < ^vfu           > F0 5E 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000175667656E0, 16 bytes long.
 Data: <&#200;^vfu           > C8 5E 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017566765690, 16 bytes long.
 Data: < ^vfu           > A0 5E 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017566765820, 16 bytes long.
 Data: <pFvfu           > 70 46 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017566764670, 40 bytes long.
 Data: < Xvfu   &#176;Rmhu   > 20 58 76 66 75 01 00 00 B0 52 6D 68 75 01 00 00 
{259} normal block at 0x0000017566765B40, 16 bytes long.
 Data: < ^vfu           > 80 5E 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017566765460, 16 bytes long.
 Data: <X^vfu           > 58 5E 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001756675F4D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000175667658C0, 16 bytes long.
 Data: <0^vfu           > 30 5E 76 66 75 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017566765E30, 992 bytes long.
 Data: <&#192;Xvfu   &#208; ufu   > C0 58 76 66 75 01 00 00 D0 F4 75 66 75 01 00 00 
{91} normal block at 0x000001756675FBF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001756675E460, 16 bytes long.
 Data: <@ tfu           > 40 EF 74 66 75 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001756674EF40, 40 bytes long.
 Data: <` ufu     ufu   > 60 E4 75 66 75 01 00 00 F0 FB 75 66 75 01 00 00 
{66} normal block at 0x000001756675E000, 16 bytes long.
 Data: <   `            > 80 EA 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001756675EA50, 16 bytes long.
 Data: <@  `            > 40 E9 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001756675EE10, 16 bytes long.
 Data: < W `            > F8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001756675E2D0, 16 bytes long.
 Data: <&#216;W `            > D8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001756675E280, 16 bytes long.
 Data: <P  `            > 50 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001756675EB40, 16 bytes long.
 Data: <0  `            > 30 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001756675EDC0, 16 bytes long.
 Data: <   `            > E0 02 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001756675E1E0, 16 bytes long.
 Data: <   `            > 10 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001756675ECD0, 16 bytes long.
 Data: <p  `            > 70 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001756675E4B0, 16 bytes long.
 Data: < &#192; `            > 18 C0 83 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>