Task 38665788

Name	test_926-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND8590_1
Workunit	31608493
Created	25 Oct 2026, 1:33:56 UTC
Sent	25 Oct 2026, 2:04:47 UTC
Report deadline	30 Oct 2026, 2:04:47 UTC
Received	25 Oct 2026, 5:26:52 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	631047
Run time	2 hours 46 min 54 sec
CPU time	1 hours 31 min 5 sec
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	758.34 MB
Peak swap size	9.22 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:38:41 (25712): wrapper (7.9.26016): starting
11:38:41 (25712): 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
11:38:46 (25712): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:38:46 (25712): 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
14:23:09 (25712): C:/Windows/system32/cmd.exe exited; CPU time 5464.984375
14:23:09 (25712): 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: 125418027 bytes.
Dumping objects ->
{3835555} normal block at 0x0000020E71004BB0, 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 0x0000020E71004B40, 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 0x0000020E71004AD0, 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 0x0000020E71004830, 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 0x0000020E710047C0, 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 0x0000020E72FD95B0, 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 0x0000020E70FFE050, 8 bytes long.
 Data: <   p    > 00 00 FC 70 0E 02 00 00 
{3834045} normal block at 0x0000020E70FFE0A0, 8 bytes long.
 Data: <p&#216; p    > 70 D8 FE 70 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020E710008E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020E70FF5570, 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 0x0000020E71005C80, 16 bytes long.
 Data: <Xa q            > 58 61 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020E71005C30, 16 bytes long.
 Data: <0a q            > 30 61 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020E70FFF530, 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 0x0000020E71005D20, 16 bytes long.
 Data: < a q            > 08 61 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020E710050F0, 16 bytes long.
 Data: < ` q            > E0 60 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020E710050A0, 16 bytes long.
 Data: <&#184;` q            > B8 60 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020E71005BE0, 16 bytes long.
 Data: < ` q            > 90 60 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020E710046E0, 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 0x0000020E710059B0, 16 bytes long.
 Data: <&#200;  p            > C8 F3 FE 70 0E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020E70FFF6B0, 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 0x0000020E710051E0, 16 bytes long.
 Data: <   p            > A0 F3 FE 70 0E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020E710058C0, 16 bytes long.
 Data: <x  p            > 78 F3 FE 70 0E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020E71005000, 16 bytes long.
 Data: <P  p            > 50 F3 FE 70 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020E71005B90, 16 bytes long.
 Data: <(  p            > 28 F3 FE 70 0E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020E71005190, 16 bytes long.
 Data: <   p            > 00 F3 FE 70 0E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020E71005AA0, 16 bytes long.
 Data: <&#216;  p            > D8 F2 FE 70 0E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020E70FFF7D0, 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 0x0000020E71005820, 16 bytes long.
 Data: <&#176;  p            > B0 F2 FE 70 0E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020E70FEF2B0, 320 bytes long.
 Data: < X q    &#208;  p    > 20 58 00 71 0E 02 00 00 D0 F7 FF 70 0E 02 00 00 
{273} normal block at 0x0000020E71005A50, 16 bytes long.
 Data: <p` q            > 70 60 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020E71005AF0, 16 bytes long.
 Data: <H` q            > 48 60 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020E70FFFA70, 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 0x0000020E71005910, 16 bytes long.
 Data: < ` q            > 20 60 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020E70FFF9B0, 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 0x0000020E71005DC0, 16 bytes long.
 Data: <h_ q            > 68 5F 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020E71005730, 16 bytes long.
 Data: <@_ q            > 40 5F 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020E710056E0, 16 bytes long.
 Data: < _ q            > 18 5F 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020E710053C0, 16 bytes long.
 Data: < ^ q            > F0 5E 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020E71005140, 16 bytes long.
 Data: <&#200;^ q            > C8 5E 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020E710057D0, 16 bytes long.
 Data: < ^ q            > A0 5E 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020E71005640, 16 bytes long.
 Data: <&#176;D q            > B0 44 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020E710044B0, 40 bytes long.
 Data: <@V q    &#176;  r    > 40 56 00 71 0E 02 00 00 B0 95 FD 72 0E 02 00 00 
{259} normal block at 0x0000020E71005870, 16 bytes long.
 Data: < ^ q            > 80 5E 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020E71004FB0, 16 bytes long.
 Data: <X^ q            > 58 5E 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020E70FFFAD0, 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 0x0000020E71005780, 16 bytes long.
 Data: <0^ q            > 30 5E 00 71 0E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020E71005E30, 992 bytes long.
 Data: < W q    &#208;  p    > 80 57 00 71 0E 02 00 00 D0 FA FF 70 0E 02 00 00 
{91} normal block at 0x0000020E70FFFA10, 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 0x0000020E70FFE000, 16 bytes long.
 Data: <@  p            > 40 EF FE 70 0E 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020E70FEEF40, 40 bytes long.
 Data: <   p       p    > 00 E0 FF 70 0E 02 00 00 10 FA FF 70 0E 02 00 00 
{66} normal block at 0x0000020E70FFE0F0, 16 bytes long.
 Data: <                > 80 EA 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020E70FFECD0, 16 bytes long.
 Data: <@               > 40 E9 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020E70FFE140, 16 bytes long.
 Data: < W              > F8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020E70FFE5A0, 16 bytes long.
 Data: <&#216;W              > D8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020E70FFE9B0, 16 bytes long.
 Data: <P               > 50 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020E70FFE870, 16 bytes long.
 Data: <0               > 30 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020E70FFDEC0, 16 bytes long.
 Data: <                > E0 02 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020E70FFEC30, 16 bytes long.
 Data: <                > 10 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020E70FFEBE0, 16 bytes long.
 Data: <p               > 70 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020E70FFE550, 16 bytes long.
 Data: < &#192;              > 18 C0 FC FA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>